SCHEMBL6726076

SCHEMBL6726076

CC(=O)c1cc(Cl)c2c(c1Cl)C(C)(C)CCS2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
BACE1 P56817 2/20 0.32
RARA P10276 5/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RARB P10826 4/20 0.30
RARG P13631 4/20 0.30
RXRA P19793 2/20 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
SCHEMBL9037686 0.89 RXRA (0.35) PTGS1PTGS2RARACYP1A2CYP3A4
SCHEMBL6725577 0.87 RARA (0.32) PTGS1PTGS2RARACYP1A2CYP3A4
SCHEMBL6721524 0.79 RXRA (0.35) PTGS1PTGS2BACE1RARACYP1A2
SCHEMBL9036741 0.76 RARA (0.34) PTGS1PTGS2RARACYP1A2CYP3A4
SCHEMBL6725198 0.71 BACE1 (0.31) BACE1RARACYP1A2CYP3A4CYP2D6
SCHEMBL8346757 0.71 HTT (0.33)
SCHEMBL8133679 0.64 MAPK1 (0.30)
SCHEMBL6973404 0.64 NOTUM (0.35) PTGS2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6726207 0.64 RXRA (0.35) PTGS1PTGS2RARARARBRARG
SCHEMBL7617142 0.64 RXRA (0.39) PTGS1PTGS2RARACYP3A4RARB

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 11 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
EP-0712853-B1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO (JP) 2001-02-28 EP 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
US-5767289-A HERBICIDE INTERMEDIATES IDEMITSU KOSAN COMPANY, LIMITED (JP) 1998-06-16 US disclosed
US-5607898-A HERBICIDES IDEMITSU KOSAN COMPANY, LTD. (JP) 1997-03-04 US disclosed
EP-0712853-A1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-05-22 EP 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 PTGS1 1669/4885PTGS2 2928/4885BACE1 2692/4885
US-20010051733-A1 Aromatic carboxylic acid bicyclic sulfur compounds XDH, SULT2A1, NAT1 PTGS1 1669/4885PTGS2 2928/4885BACE1 2692/4885
US-20020133024-A1 Aromatic carboxylic acid bicyclic sulfur compounds XDH, SULT2A1, NAT1 PTGS1 1669/4885PTGS2 2928/4885BACE1 2692/4885

“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.