SCHEMBL647795

SCHEMBL647795

CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C]=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.51
▸ IL23R Q5VWK5 8/20 0.51
▸ KISS1R Q969F8 4/20 0.49
▸ CTSL P07711 2/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CTSK P43235 2/20 0.48
▸ CTSH P09668 1/20 0.48
▸ NPFFR1 Q9GZQ6 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19712194 0.94 MC4R (0.51) MC4RIL23RKISS1R
SCHEMBL306027 0.92 IL23R (0.56) MC4RIL23RKISS1R
SCHEMBL1449964 0.92 IL23R (0.56) MC4RIL23RKISS1R
SCHEMBL28714609 0.89 IL23R (0.56) MC4RIL23RKISS1RCTSLCTSS
SCHEMBL649010 0.88 MC4R (0.54) MC4RIL23RKISS1RCTSLCTSS
SCHEMBL30464997 0.87 IL23R (0.57) MC4RIL23RKISS1RCTSLCTSS
SCHEMBL30464993 0.87 IL23R (0.58) MC4RIL23RKISS1RCTSLCTSS
SCHEMBL2192640 0.87 MC4R (0.49) MC4RKISS1R
SCHEMBL29420167 0.87 MC4R (0.64) MC4RKISS1RCTSLCTSSCTSK
SCHEMBL12057583 0.87 MC4R (0.64) MC4RKISS1RCTSLCTSSCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034852-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-05-19 — — US disclosed
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 — — US disclosed
US-8580832-B2 Substituted phenoxy aminothiazolones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-12 — — US disclosed
US-8445690-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-05-21 — — US disclosed
US-8426604-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-04-23 — — US disclosed
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 — — US disclosed
US-8344009-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-á modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-01 — — US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 — — US disclosed
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 — — US disclosed
US-20120108571-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS GAUL MICHAEL (US) 2012-05-03 — — US disclosed
US-8119669-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 — — US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 — — US disclosed
US-20110237625-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-á MODULATORS JANSSEN PHARAMCEUTICA N.V. (BE) 2011-09-29 — — US disclosed
US-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 — — US disclosed
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 — — US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 — — US disclosed
US-7846953-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA, NV (BE) 2010-12-07 — — US disclosed
US-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 — — US disclosed
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 — — US disclosed
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG MC4R 128/4885IL23R 315/4885KISS1R 1077/4885
US-20110237625-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-á MODULATORS ESR2, ESRRA, ESRRB MC4R 72/4885IL23R 108/4885KISS1R 668/4885
US-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS ESR2, ESRRA, ESRRG MC4R 81/4885IL23R 120/4885KISS1R 729/4885
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R MC4R 108/4885IL23R 59/4885KISS1R 1124/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA MC4R 52/4885IL23R 87/4885KISS1R 591/4885
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators ESR2, ESRRA, ESRRG MC4R 110/4885IL23R 263/4885KISS1R 1175/4885
US-20120108571-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG MC4R 124/4885IL23R 180/4885KISS1R 941/4885
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG MC4R 128/4885IL23R 315/4885KISS1R 1077/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R MC4R 108/4885IL23R 59/4885KISS1R 1124/4885
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG MC4R 124/4885IL23R 180/4885KISS1R 941/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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