SCHEMBL9885783

SCHEMBL9885783

CC(C)C(=O)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ THRB P10828 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.53
▸ LMNA P02545 3/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA7 P43166 1/20 0.50

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
SCHEMBL14047251 0.89 MAPT (0.58) MAPTKMT2AMEN1THRBRXFP1
SCHEMBL11930740 0.87 MAPT (0.65) MAPTKMT2AMEN1THRBRXFP1
SCHEMBL9887849 0.80 MAPT (0.62) MAPTKMT2AMEN1THRBRXFP1
SCHEMBL9885775 0.79 CA1 (0.70) MAPTKMT2AMEN1THRBCA1
SCHEMBL13711989 0.76 MAPT (0.63) MAPTKMT2AMEN1RXFP1LMNA
SCHEMBL14315047 0.73 CA1 (0.76) MAPTKMT2AMEN1THRBLMNA
SCHEMBL12339107 0.69 ALDH1A1 (0.70) THRBLMNACA1CA2CA4
SCHEMBL14316971 0.69 CA1 (0.78) MAPTKMT2AMEN1THRBRXFP1
SCHEMBL17850506 0.69 CA1 (0.72) MAPTKMT2AMEN1CA1CA2
SCHEMBL17318631 0.68 CSNK2A2 (0.78) MAPTKMT2AMEN1RXFP1RAB9A

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 — — US disclosed
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 — — US disclosed
US-8722726-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2014-05-13 — — US disclosed
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 — — US disclosed
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 — — US disclosed
US-8338637-B2 Glaucoma; prostaglandin receptor modulators; cyclopentyl compounds such as 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid ALLERGAN, INC. (US) 2012-12-25 — — US disclosed
US-8338637-B2 Glaucoma; prostaglandin receptor modulators; cyclopentyl compounds such as 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid ALLERGAN, INC. (US) 2012-12-25 — — US disclosed
US-8193373-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-06-05 — — US disclosed
US-8039496-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-10-18 — — US disclosed
US-8003680-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-08-23 — — US disclosed
US-20080015231-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-01-17 — — US disclosed
US-20080015219-A1 Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; acid-functional aryl substituted cyclopentanone or hydroxycyclopentane compounds ALLERGAN, INC. 2008-01-17 — — US disclosed
US-20070293561-A1 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid; Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists ALLERGAN, INC. 2007-12-20 — — US disclosed
US-20070281981-A1 Glaucoma; 3-substituted pyrrolidine compounds; prostaglandin receptor modulators ALLERGAN, INC. 2007-12-06 — — US disclosed
US-20070270387-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ALLERGAN, INC 2007-11-22 — — US disclosed
US-20070265321-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-15 — — US disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 — — US disclosed
US-20070259947-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-08 — — US disclosed
US-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ALLERGAN, INC. 2007-11-08 — — US disclosed
US-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ALLERGAN, INC. 2007-11-08 — — 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-20070281981-A1 Glaucoma; 3-substituted pyrrolidine compounds; prostaglandin receptor modulators PTGIR, PTGIS, PTGS1 MAPT 2775/4885KMT2A 4604/4885MEN1 4618/4885
US-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES PTGIS, PTGIR, CYP11B2 MAPT 1129/4885KMT2A 4817/4885MEN1 2660/4885
US-20070293561-A1 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid; Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists PTGIR, PTGIS, PTGER2 MAPT 4067/4885KMT2A 4493/4885MEN1 3521/4885
US-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 MAPT 1264/4885KMT2A 4709/4885MEN1 3723/4885
US-20080015219-A1 Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; acid-functional aryl substituted cyclopentanone or hydroxycyclopentane compounds PTGER2, PTGER1, PTGS2 MAPT 3853/4885KMT2A 3786/4885MEN1 3494/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 MAPT 780/4885KMT2A 4389/4885MEN1 3123/4885
US-20070265321-A1 THERAPEUTIC COMPOUNDS ACER2, SLC10A1, ASAH2 MAPT 1422/4885KMT2A 3683/4885MEN1 1873/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 MAPT 3495/4885KMT2A 2970/4885MEN1 3829/4885
US-20070270387-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ABCB1, CYP11B2, SLC10A1 MAPT 1179/4885KMT2A 4418/4885MEN1 2990/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 MAPT 1338/4885KMT2A 4310/4885MEN1 2748/4885

“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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