SCHEMBL6732082

SCHEMBL6732082

CCOC(=O)c1cc(Cl)c(SCCC(=O)O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
THRB P10828 2/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL8131767 0.88 ALDH1A1 (0.42) ALDH1A1CA1CA2KDM4ESMN1; SMN2
SCHEMBL8545832 0.84 ALDH1A1 (0.40) ALDH1A1CA1CA2KDM4ESMN1; SMN2
SCHEMBL8135797 0.80 CA1 (0.43) ALDH1A1CA1CA2CYP4F2CYP4A11
SCHEMBL6756446 0.79 CA1 (0.41) ALDH1A1CA1CA2CYP4F2CYP4A11
SCHEMBL29923060 0.76 CYP4F2 (0.53) ALDH1A1CA1CA2KDM4ECYP4F2
SCHEMBL6732086 0.76 CYP4F2 (0.53) ALDH1A1CA1CA2KDM4ECYP4F2
SCHEMBL9661884 0.72 CA1 (0.48) ALDH1A1CA1CA2KDM4ECYP4F2
SCHEMBL18703599 0.72 CA1 (0.51) CA1CA2KDM4ECYP4F2CYP4A11
SCHEMBL3608649 0.71 CYP4F2 (0.51) ALDH1A1CA1CA2KDM4ECYP4F2
SCHEMBL11725048 0.71 ALDH1A1 (0.51) ALDH1A1CA1CA2KDM4ECYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677460-B1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2004-01-13 US disclosed
US-20030236421-A1 AROMATIC CARBOXYLIC ACID BICYCLIC SULFUR COMPOUNDS IDEMITSU KOSAN COMPANY, LIMITED (JP) 2003-12-25 US disclosed
US-20020133024-A1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2002-09-19 US disclosed
US-20010051733-A1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2001-12-13 US disclosed
US-6159904-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-12-12 US disclosed
US-6136755-A HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 2000-10-24 US disclosed
US-6103668-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-08-15 US disclosed
US-6063936-A CARBOXY SUBSTITUTED BENZOTHIOPHENES USED AS HERBICIDE IDEMITSU KOSAN CO., LTD. (JP) 2000-05-16 US disclosed
EP-0970956-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-01-12 EP disclosed
US-5767289-A HERBICIDE INTERMEDIATES IDEMITSU KOSAN COMPANY, LIMITED (JP) 1998-06-16 US disclosed
EP-0810226-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-12-03 EP disclosed
US-5607898-A HERBICIDES IDEMITSU KOSAN COMPANY, LTD. (JP) 1997-03-04 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-20030236421-A1 AROMATIC CARBOXYLIC ACID BICYCLIC SULFUR COMPOUNDS XDH, SULT2A1, NAT1 ALDH1A1 194/4885CA1 231/4885CA2 33/4885
US-20010051733-A1 Aromatic carboxylic acid bicyclic sulfur compounds XDH, SULT2A1, NAT1 ALDH1A1 194/4885CA1 231/4885CA2 33/4885
US-20020133024-A1 Aromatic carboxylic acid bicyclic sulfur compounds XDH, SULT2A1, NAT1 ALDH1A1 194/4885CA1 231/4885CA2 33/4885

“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.