SCHEMBL16440432

SCHEMBL16440432

CC(=O)NCc1nc(CO)sc1-c1csc(NC(=O)Cc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.48
KMT2A Q03164 2/20 0.43
ELOVL1 Q9BW60 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
PRKACA P17612 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL16440447 0.92 RORC (0.44) RORCKMT2AELOVL1MEN1LMNA
SCHEMBL16440408 0.92 RORC (0.45) RORCKMT2AELOVL1MEN1LMNA
SCHEMBL18602943 0.92 RORC (0.45) RORCKMT2AELOVL1MEN1LMNA
SCHEMBL16434401 0.92 RORC (0.45) RORCKMT2AELOVL1MEN1LMNA
SCHEMBL16440404 0.92 RORC (0.44) RORCKMT2AELOVL1MEN1LMNA
SCHEMBL16437830 0.92 RORC (0.49) RORCKMT2AELOVL1MEN1LMNA
SCHEMBL16440418 0.90 RORC (0.48) RORCKMT2AELOVL1MEN1LMNA
SCHEMBL16440412 0.90 RORC (0.49) RORCKMT2AMEN1LMNAPRKACA
SCHEMBL16434428 0.89 RORC (0.44) RORCKMT2AELOVL1MEN1LMNA
SCHEMBL16440443 0.89 RORC (0.47) RORCKMT2AELOVL1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2017-03-09 US disclosed
US-9499533-B2 Aromatic 5-membered heterocyclic derivative having TRPV4-Inhibiting activity SHIONOGI & CO., LTD. (JP) 2016-11-22 US disclosed
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-02-05 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-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 RORC 870/4885KMT2A 1257/4885ELOVL1 4633/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 RORC 870/4885KMT2A 1257/4885ELOVL1 4633/4885

“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.