SCHEMBL17618401

SCHEMBL17618401

CC(C)(C)c1csc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.44
▸ TRPA1 O75762 2/20 0.39
▸ TRPV3 Q8NET8 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ KCNQ1 P51787 1/20 0.38
▸ UCHL1 P09936 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CFTR P13569 2/20 0.37
▸ ATAD2 Q6PL18 1/20 0.37
▸ NPY2R P49146 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CSNK2A3 Q8NEV1 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ BRAF P15056 1/20 0.36

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
SCHEMBL19361166 0.91 TRPA1 (0.41) CNR2TRPA1TRPV3TRPV4CNR1
SCHEMBL17618811 0.86 TSHR (0.40) CNR2TRPV4CNR1UCHL1MAPT
SCHEMBL17618805 0.86 SCN9A (0.38) CNR2CNR1UCHL1CFTRMEN1
SCHEMBL17618379 0.85 ALDH1A1 (0.39) CNR2CNR1UCHL1MAPTNPY2R
SCHEMBL17618497 0.85 ALDH1A1 (0.39) CNR2CNR1UCHL1MAPTNPY2R
SCHEMBL17778800 0.84 CSNK1E (0.41) CNR2TRPV4CNR1UCHL1NPY2R
SCHEMBL17618783 0.84 MEN1 (0.47) MAPTMEN1KMT2AALDH1A1
SCHEMBL19689772 0.84 CNR2 (0.43) CNR2CNR1UCHL1NPY2RMEN1
SCHEMBL17618400 0.84 SCN9A (0.38) CNR2CNR1MAPTNPY2RMEN1
SCHEMBL17624557 0.84 LMNA (0.37) CNR2CNR1MAPTNPY2RMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 3123/4885TRPA1 3978/4885TRPV3 4464/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 2514/4885TRPA1 3603/4885TRPV3 4093/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 2514/4885TRPA1 3603/4885TRPV3 4093/4885

“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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