SCHEMBL6765249

SCHEMBL6765249

Cc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc3ccccc23)cc1NC(=O)Cc1ccc(C(=N)N)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6765298 0.89 KDM1A (0.40) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL6765970 0.87 F2 (0.47) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL6570643 0.84 F2 (0.45) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL6765358 0.82 F2 (0.50) F2PRSS1PRSS2PRSS3
SCHEMBL6766786 0.74 F2 (0.60) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6771137 0.72 F2 (0.62) F2PRSS1PRSS2PRSS3TSHR
SCHEMBL6574029 0.69 RORC (0.40) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8138060 0.69 F2 (0.78) F2MEN1GAAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL8032266 0.66 F2 (0.72) F2
SCHEMBL7074867 0.66 TGM2 (0.55) F2PRSS1MEN1GAAKMT2A

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 612/4885PRSS1 1283/4885PRSS2 1465/4885

“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.