SCHEMBL4629467

SCHEMBL4629467

CCS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.58
CYP1A2 P05177 1/20 0.56
AHR P35869 1/20 0.56
UTRN P46939 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PKM P14618 1/20 0.56
PSIP1 O75475 1/20 0.56
HTT P42858 2/20 0.53
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CNR2 P34972 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 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
SCHEMBL4629972 0.86 ALDH1A1 (0.61) GAALMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL383077 0.85 LMNA (0.61) GAALMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL29516114 0.85 LMNA (0.61) GAALMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL3739961 0.85 CA1 (0.64) GAALMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL4629901 0.83 ALDH1A1 (0.58) GAALMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL9705909 0.83 LMNA (0.59) GAALMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL2705523 0.82 ALDH1A1 (0.54) GAALMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL4629666 0.82 ALDH1A1 (0.57) GAALMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL756790 0.82 LMNA (0.57) GAALMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL8415190 0.81 LMNA (0.52) GAALMNAL3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN BRADLEY MARK (GB) 2019-04-11 US disclosed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
US-20180022137-A1 RECORDING MATERIAL AND RECORDING SHEET NIPPON SODA CO., LTD. (JP) 2018-01-25 US disclosed
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 US disclosed
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-02 US disclosed
US-9518011-B2 Recording material produced using non-phenol compound NIPPON SODA CO., LTD. (JP) 2016-12-13 US disclosed
US-20150284321-A1 RECORDING MATERIAL PRODUCED USING NON-PHENOL COMPOUND NIPPON SODA CO., LTD. (JP) 2015-10-08 US disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20100120700-A1 METHODS AND COMPOSITIONS FOR TREATING CERVICAL CANCER ARBOR VITA CORPORATION (US) 2010-05-13 US disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
EP-1856074-A2 SUBSTITUTED ARYL OR HETEROARYLSULFONYLBUTANAMIDES FOR USE AS ANTI-INFLAMMATORY AGENTS Amgen, Inc (US) 2007-11-21 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20060111347-A1 Substituted sulfones and methods of use AMGEN INC. (US) 2006-05-25 US disclosed
WO-2006041888-A2 SUBSTITUTED ARYL OR HETEROARYLSULFONYLBUTANAMIDES FOR USE AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 2006-04-20 WO 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-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants CBR3, CBR1, CBS GAA 2637/4885LMNA 4019/4885L3MBTL1 2457/4885
US-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885LMNA 1353/4885L3MBTL1 2200/4885
US-20100120700-A1 METHODS AND COMPOSITIONS FOR TREATING CERVICAL CANCER MAGI3, PDLIM5, PYM1 GAA 4334/4885LMNA 2407/4885L3MBTL1 1889/4885
US-20150284321-A1 RECORDING MATERIAL PRODUCED USING NON-PHENOL COMPOUND CYP19A1, ALPG, ALPP GAA 3052/4885LMNA 975/4885L3MBTL1 3087/4885
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 GAA 2065/4885LMNA 1265/4885L3MBTL1 3540/4885
US-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 GAA 315/4885LMNA 3364/4885L3MBTL1 2679/4885
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN TARDBP, DDB1, EPS15 GAA 937/4885LMNA 2713/4885L3MBTL1 1645/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C GAA 1609/4885LMNA 4862/4885L3MBTL1 2996/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 GAA 2196/4885LMNA 3991/4885L3MBTL1 1509/4885
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS TST, GSS, SQOR GAA 2431/4885LMNA 4839/4885L3MBTL1 2386/4885

“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.