SCHEMBL2533522

SCHEMBL2533522

COc1ccc(C2N[C@H](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
SCHEMBL1760833 1.00 KDM4E (0.71) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL1760831 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 WO disclosed
WO-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 WO disclosed
US-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues UNIVERSITY OF NOTTINGHAM (GB) 2012-04-05 US disclosed
US-8039465-B2 Cytoskeletal active compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-8039465-B2 Cytoskeletal active compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-7947850-B2 Process for the preparation of 3,4-disubstituted-thiazolidin-2-ones INSPIRE PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20100130572-A1 CYTOSKELETAL ACTIVE COMPOUNDS, COMPOSITION AND USE LAMPE JOHN W 2010-05-27 US disclosed
US-20100130572-A1 CYTOSKELETAL ACTIVE COMPOUNDS, COMPOSITION AND USE LAMPE JOHN W 2010-05-27 US disclosed
US-7666861-B2 Cytoskeletal active compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2010-02-23 US disclosed
US-7666861-B2 Cytoskeletal active compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2010-02-23 US disclosed
US-20080076735-A1 CYTOSKELETAL ACTIVE COMPOUNDS, COMPOSITION AND USE CHATTEM INC. 2008-03-27 US disclosed
US-7320974-B2 Cytoskeletal active compounds, compositions and use INSPIRE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320974-B2 Cytoskeletal active compounds, compositions and use INSPIRE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
EP-1866316-A2 CYTOSKELETAL ACTIVE COMPOUNDS, COMPOSITION AND USE Inspire Pharmaceuticals, Inc. (US) 2007-12-19 EP disclosed
US-20070225504-A1 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES INSPIRE PHARMACEUTICALS, INC. 2007-09-27 US disclosed
WO-2007109786-A2 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES INSPIRE PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed
WO-2006104897-A2 CYTOSKELETAL ACTIVE COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2006-10-05 WO disclosed
US-20060217427-A1 Cytoskeletal active compounds, compositions and use INSPIRE PHARMACEUTICALS, INC. 2006-09-28 US disclosed
US-4410542-A HYPOTENSIVE AGENTS, PYRROLINE-1,2-DICARBOXYLIC ACID DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-10-18 US disclosed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 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 (5 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-20060217427-A1 Cytoskeletal active compounds, compositions and use RHOA, ACTB, ROCK1 KDM4E 3238/4885MAPT 45/4885ALDH1A1 4237/4885
US-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues BTD, URB2, RAET1L KDM4E 2501/4885MAPT 1902/4885ALDH1A1 260/4885
US-20100130572-A1 CYTOSKELETAL ACTIVE COMPOUNDS, COMPOSITION AND USE RHOA, ACTB, ROCK1 KDM4E 3389/4885MAPT 39/4885ALDH1A1 4181/4885
US-20080076735-A1 CYTOSKELETAL ACTIVE COMPOUNDS, COMPOSITION AND USE RHOA, ACTB, ROCK1 KDM4E 3389/4885MAPT 39/4885ALDH1A1 4181/4885

“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.