SCHEMBL16440448

SCHEMBL16440448

CC(=O)NCc1nc(C)c(-c2csc(NC(=O)Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.49
PI4KB Q9UBF8 2/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ELOVL1 Q9BW60 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL16440450 0.92 RORC (0.46) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL16434506 0.92 RORC (0.45) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL16440425 0.90 RORC (0.47) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL16434213 0.90 RORC (0.49) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL16434297 0.90 RORC (0.49) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL16440442 0.89 RORC (0.48) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL16440458 0.88 RORC (0.48) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL16440407 0.88 RORC (0.48) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL16440432 0.87 RORC (0.48) RORCKMT2AMEN1LMNAELOVL1
SCHEMBL16440212 0.87 RORC (0.47) RORCKMT2AMEN1ALDH1A1LMNA

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 870/4885PI4KB 1755/4885KMT2A 1257/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 RORC 870/4885PI4KB 1755/4885KMT2A 1257/4885

“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.