SCHEMBL1760833

SCHEMBL1760833

COc1ccc([C@@H]2NC(C(=O)O)CS2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.71
MAPT P10636 4/20 0.71
ALDH1A1 P00352 8/20 0.71
HSD17B10 Q99714 1/20 0.68
ALOX15 P16050 2/20 0.64
S1PR3 Q99500 1/20 0.57
HRH3 Q9Y5N1 2/20 0.57
POLB P06746 3/20 0.54
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL1760831 1.00 KDM4E (0.71) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL2533522 1.00 KDM4E (0.71) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL16084531 0.87 KDM4E (0.84) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL3830104 0.83 ALDH1A1 (0.58) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL3830107 0.83 ALDH1A1 (0.58) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL8870328 0.83 ALDH1A1 (0.58) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL4743901 0.83 KDM4E (1.00) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL11067751 0.83 KDM4E (1.00) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL4743903 0.83 KDM4E (1.00) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL3826154 0.83 ALDH1A1 (1.00) KDM4EMAPTALDH1A1HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947850-B2 Process for the preparation of 3,4-disubstituted-thiazolidin-2-ones INSPIRE PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
EP-2099778-A2 AMIDO ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-16 EP disclosed
EP-1996192-A2 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES Inspire Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
US-20080287683-A1 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES DECAMP JONATHAN B 2008-11-20 US disclosed
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed
US-7414137-B2 Process for the preparation of 3,4-disubstituted-thiazolidin-2-ones INSPIRE PHARMACEUTICALS, INC. (US) 2008-08-19 US disclosed
US-20080181866-A1 Amido Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-07-31 US disclosed
WO-2008064218-A2 AMIDO ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 WO disclosed
WO-2007109786-A2 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES INSPIRE PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed
US-20070225504-A1 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES INSPIRE PHARMACEUTICALS, INC. 2007-09-27 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-20070225504-A1 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES ACTR2, ACTR5, ACTR3 KDM4E 4301/4885MAPT 171/4885ALDH1A1 4259/4885
US-20080181866-A1 Amido Anti-viral Compounds ZC3HAV1, U2SURP, ZC3HAV1L KDM4E 2989/4885MAPT 52/4885ALDH1A1 4630/4885
US-20080287683-A1 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES ACTR2, ACTR5, ACTR3 KDM4E 4301/4885MAPT 171/4885ALDH1A1 4259/4885

“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.