SCHEMBL14047251

SCHEMBL14047251

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.58
▸ KMT2A Q03164 7/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ LMNA P02545 3/20 0.57
▸ THRB P10828 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.52
▸ POLB P06746 1/20 0.49
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA4 P22748 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL9885783 0.89 MAPT (0.62) MAPTKMT2AMEN1LMNATHRB
SCHEMBL11930740 0.83 MAPT (0.65) MAPTKMT2AMEN1LMNATHRB
SCHEMBL9887849 0.76 MAPT (0.62) MAPTKMT2AMEN1LMNATHRB
SCHEMBL13711989 0.72 MAPT (0.63) MAPTKMT2AMEN1LMNARXFP1
SCHEMBL14315047 0.70 CA1 (0.76) MAPTKMT2AMEN1LMNATHRB
SCHEMBL22118522 0.68 CA1 (0.72) MAPTKMT2AMEN1THRBRXFP1
SCHEMBL9885775 0.68 CA1 (0.70) MAPTKMT2AMEN1THRBCA1
SCHEMBL19965677 0.66 CA1 (0.62) MAPTKMT2AMEN1LMNACA1
SCHEMBL20852746 0.66 CA1 (0.62) MAPTKMT2AMEN1LMNACA1
SCHEMBL13212141 0.66 KMT2A (1.00) KMT2AMEN1LMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439372-B2 Therapeutic compounds ALLERGAN, INC. (US) 2008-10-21 — — US disclosed
US-7429669-B2 Therapeutic compounds ALLERGAN, INC. (US) 2008-09-30 — — 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-20070259947-A1 THERAPEUTIC COMPOUNDS 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 (2 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-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-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 MAPT 780/4885KMT2A 4389/4885MEN1 3123/4885

“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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