SCHEMBL6792224

SCHEMBL6792224

C[CH]C(=O)OCCC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
TSHR P16473 5/20 0.33
HCAR2 Q8TDS4 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EGFR P00533 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL9709226 0.84 ATM (0.52) ATMTSHRHCAR2HPGD
SCHEMBL1015244 0.80 TSHR (0.56) ATMTSHRHPGDALDH1A1TP53
SCHEMBL13133178 0.77 HCAR2 (0.52) ATMHCAR2
SCHEMBL697706 0.76 ALDH1A1 (0.35) ALDH1A1TP53HIF1ACYP3A4HSD17B10
SCHEMBL607857 0.75 ALDH1A1 (0.41) ALDH1A1HSD17B10EGFR
SCHEMBL6895706 0.74
SCHEMBL457409 0.74 THRB (0.31) THRB
SCHEMBL8199150 0.73
SCHEMBL4229823 0.73 ALDH1A1 (0.48) TSHRALDH1A1HSD17B10
SCHEMBL4452351 0.73 EGFR (0.31) HSD17B10EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1293052-C Benzamidine derivatives SANKYO CO (JP) 2007-01-03 CN disclosed
CN-1572882-A Benzamidine derivatives SANKYO CO (JP) 2005-02-02 CN disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
CN-1413189-A Benzamidine derivatives SANKYO CO (JP) 2003-04-23 CN disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 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 (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-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 ATM 1834/4885TSHR 1686/4885HCAR2 3289/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 ATM 1861/4885TSHR 1631/4885HCAR2 3294/4885

“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.