SCHEMBL229110

SCHEMBL229110

CC(C)(C)C(=O)N1CCSC1=S

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.42
XDH P47989 1/20 0.39
TP53 P04637 2/20 0.38
RIPK1 Q13546 2/20 0.34
NOTUM Q6P988 1/20 0.34
NPC1 O15118 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
RAB9A P51151 1/20 0.32
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL823726 0.78
SCHEMBL826060 0.75
SCHEMBL10719930 0.72 MAPT (0.49) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL14193571 0.70 MAPT (0.47) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL10047902 0.70 MAPT (0.48) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL10038918 0.69 KMT2A (0.49) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL2683601 0.69 MAPT (0.46) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL17662406 0.68 RIPK1 (0.41) KMT2AMAPTCYP1A2CYP2C19SMN1; SMN2
SCHEMBL5051388 0.68 MAPT (0.45) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL10047911 0.67 KMT2A (1.00) KMT2AMAPTALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017175238-A1 HIGHLY CHEMOSELECTIVE REACTIONS IN PRESENCE OF AROMATIC AMINO GROUPS NEON LABORATORIES LIMITED (IN) 2017-10-12 WO disclosed
WO-2016050209-A1 HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE 厦门赛诺邦格生物科技有限公司 2016-04-07 WO disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-8168647-B2 Vinblastine derivatives, their preparation, use and pharmaceutical compositions comprising the said derivatives SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-05-01 US disclosed
US-8168647-B2 Vinblastine derivatives, their preparation, use and pharmaceutical compositions comprising the said derivatives SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-05-01 US disclosed
US-8168647-B2 Vinblastine derivatives, their preparation, use and pharmaceutical compositions comprising the said derivatives SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-05-01 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 US disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-6391916-B1 ANTITUMOR AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2002-05-21 US disclosed
US-5527805-A DNA-CLEAVING, CYTOTOXIC AND ANTI-TUMOR COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 1996-06-18 US disclosed
US-5434274-A Benz(epsilon)indene compounds WASHINGTON UNIVERSITY (US) 1995-07-18 US disclosed
US-5281710-A Antibiotics or antitumor agents THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-25 US disclosed
US-5276159-A Antitumor THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-04 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-20070270437-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 KMT2A 2733/4885MAPT 1126/4885ALDH1A1 1060/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 KMT2A 216/4885MAPT 2593/4885ALDH1A1 2275/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 KMT2A 455/4885MAPT 3856/4885ALDH1A1 1214/4885

“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.