SCHEMBL20113151

SCHEMBL20113151

CC(S)c1cnc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL12197725 0.83 CYP3A4 (0.43) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL24724319 0.80 TRPV4 (0.36) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL24724318 0.80 TRPV4 (0.36) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL24774970 0.80 TRPV4 (0.36) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL30003748 0.80 TRPV4 (0.36) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL24635085 0.80 TRPV4 (0.36) TRPV4CYP3A4CYP2D6TSHRCRHBP
Hydrochloric Acid SCHEMBL29220543 0.78 TRPV4 (0.35) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL13093308 0.78 TRPV4 (0.35) TRPV4CYP3A4CYP2D6TSHRCRHBP
Hydrochloric Acid SCHEMBL29220586 0.78 TRPV4 (0.35) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL13104185 0.77 TRPV4 (0.34) TRPV4CYP3A4CYP2D6TSHRCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20160028024-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2016-01-28 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 (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-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPV4 6/4885CYP3A4 1713/4885CYP2D6 881/4885
US-20160028024-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CHRM1, L1CAM, CHRM2 TRPV4 1194/4885CYP3A4 866/4885CYP2D6 761/4885

“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.