SCHEMBL8084511

SCHEMBL8084511

Cc1ccc(S(=O)(=O)OC2CCCC2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
ACHE P22303 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.40
ENPP3 O14638 2/20 0.39
ENPP1 P22413 2/20 0.39
ENPP2 Q13822 2/20 0.39
HTR6 P50406 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL16080347 1.00 CYP2D6 (0.55) CYP2D6CYP1A2ACHECYP3A4CYP2C19
SCHEMBL10208790 0.97 CYP2D6 (0.55) CYP2D6CYP1A2ACHECYP3A4CYP2C19
SCHEMBL10210003 0.97 CYP2D6 (0.55) CYP2D6CYP1A2ACHECYP3A4CYP2C19
SCHEMBL13967490 0.97 CYP2D6 (0.55) CYP2D6CYP1A2ACHECYP3A4CYP2C19
SCHEMBL11110148 0.91 CYP2D6 (0.52) CYP2D6CYP1A2ACHECYP3A4CYP2C19
SCHEMBL14779900 0.90 CYP2D6 (0.60) CYP2D6CYP1A2ACHECYP3A4CYP2C19
SCHEMBL16712229 0.89 CYP2D6 (0.51) CYP2D6CYP1A2ACHECYP3A4CYP2C19
SCHEMBL16712227 0.89 CYP2D6 (0.56) CYP2D6CYP1A2ACHECYP3A4CYP2C19
SCHEMBL8744470 0.86 CYP2D6 (0.60) CYP2D6CYP1A2ACHECYP3A4CYP2C19
SCHEMBL8744478 0.86 CYP2D6 (0.60) CYP2D6CYP1A2ACHECYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028052-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2021-06-08 US disclosed
US-11028052-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2021-06-08 US disclosed
EP-3461816-B1 FIVE-MEMBERED HETEROCYLIC COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-03-24 EP disclosed
EP-3461816-B1 FIVE-MEMBERED HETEROCYLIC COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-03-24 EP disclosed
US-10421727-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2019-09-24 US disclosed
US-10421727-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2019-09-24 US disclosed
EP-3461816-A1 FIVE-MEMBERED HETEROCYLIC COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2019-04-03 EP disclosed
EP-3461816-A1 FIVE-MEMBERED HETEROCYLIC COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2019-04-03 EP disclosed
EP-2958897-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2019-01-09 EP disclosed
US-20170369447-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-12-28 US disclosed
US-5639915-A Process for the production of aniline derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1997-06-17 US disclosed
EP-0496347-B1 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEM RES (JP) 1996-09-04 EP disclosed
US-5464811-A Benzene derivatives substituted with heterocyclic ring and herbicides containing same as active ingredients SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-11-07 US disclosed
EP-0659735-A1 PROCESS FOR PRODUCING ANILINE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-06-28 EP disclosed
US-5424277-A An N-substituted-3,4,5,6-tetrahydrophthalimide derivative characterized by having a cycloalkoxy group at the 5-position of the phenyl ring on the nitrogen SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-06-13 US disclosed
US-5391807-A Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-02-21 US disclosed
US-5344953-A Fluorobenzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-09-06 US disclosed
US-5281742-A Bis(fluorophenyl) carbonate derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-25 US disclosed
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
EP-0493606-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-08 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-10421727-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPA1 CYP2D6 906/4885CYP1A2 1235/4885ACHE 380/4885
US-20170369447-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPA1 CYP2D6 906/4885CYP1A2 1235/4885ACHE 380/4885
US-11028052-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPA1 CYP2D6 906/4885CYP1A2 1235/4885ACHE 380/4885

“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.