SCHEMBL6574030

SCHEMBL6574030

CCOC(=O)CNC(=O)N(c1cc(C)c(NC(=O)CCc2ccc(C(=N)N)cc2)cc1C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.43
F10 P00742 9/20 0.43
PRSS1 P07477 3/20 0.43
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
ALDH1A1 P00352 2/20 0.38
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
SELE P16581 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL6570531 0.92 F2 (0.41) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6766111 0.90 ITGB3 (0.45) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6571971 0.87 ALDH1A1 (0.39) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6571792 0.86 PSMB5 (0.38) ALDH1A1SELLSELPSELEMAPT
SCHEMBL6762406 0.81 ITGB3 (0.40) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6569900 0.78 ITGB3 (0.41) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6767048 0.77 ITGB3 (0.42) F2F10ITGB3ITGA2BALDH1A1
SCHEMBL7670888 0.75 F2 (0.38) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6563515 0.73 F2 (0.36) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6574412 0.73 ALDH1A1 (0.42) ALDH1A1MAPT

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-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
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 WO 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 612/4885F10 462/4885PRSS1 1283/4885

“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.