SCHEMBL6762037

SCHEMBL6762037

Cc1ccc(NS(=O)(=O)c2cccc3c2NCCC3)cc1NC(C=O)c1ccc(C(=N)N)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.37
PKM P14618 6/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
PLAU P00749 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL6762034 0.81 F2 (0.41) F2PLAUALDH1A1PRSS1PRSS2
SCHEMBL8017305 0.70 F2 (0.43) F2PLAU
SCHEMBL8028098 0.69 F2 (0.43) F2PLAUPRSS1PRSS2PRSS3
SCHEMBL6572898 0.68 IDH1 (0.40) F2PKMALDH1A1
SCHEMBL13696856 0.63 F2 (0.44) F2ALDH1A1
SCHEMBL7075389 0.61 F10 (0.46) F2ALDH1A1
SCHEMBL525390 0.61 SRC (0.50) F2
SCHEMBL22315304 0.60 PTGES2 (0.44) F2ALDH1A1
SCHEMBL6766786 0.60 F2 (0.60) F2ALDH1A1PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8986751 0.60 SRC (0.49) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 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 (1 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 F2 612/4885PKM 764/4885MRGPRX1 2104/4885

“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.