SCHEMBL6771407

SCHEMBL6771407

CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(=O)O)C1CCCCC1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITK Q08881 20/20 0.88
TEC P42680 1/20 0.59
TXK P42681 1/20 0.59

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
SCHEMBL6770253 0.94 ITK (1.00) ITK
SCHEMBL6632543 0.92 ITK (1.00) ITKTECTXK
SCHEMBL6766640 0.90 ITK (0.92) ITKTECTXK
SCHEMBL6771435 0.89 ITK (0.82) ITKTECTXK
SCHEMBL6770839 0.89 ITK (0.82) ITKTECTXK
Thiophene SCHEMBL27614397 0.84 ITK (0.65) ITK
SCHEMBL6632540 0.76 ITK (0.72) ITKTECTXK
SCHEMBL6772813 0.76 ITK (0.69) ITKTECTXK
SCHEMBL14586355 0.73 ITK (1.00) ITKTECTXK
SCHEMBL6619700 0.71 ITK (0.50) ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825219-B2 NITROGEN COMPOUNDS SUCH AS 4-((5-(CYCLOHEXYL-METHYL-CARBAMOYL) -2(THIOPHENE-2-CARBONYL)-AMINO)BENZIMIDAZOL-1-YL)-BUTYRIC ACID ADMINISTERED FOR THE PROPHYLAXIS OF INFLAMMATORY, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US disclosed
US-20030144281-A1 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-07-31 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-20030144281-A1 Substituted benzimidazole compounds HRH2, HRH4, HRH1 ITK 1721/4885TEC 881/4885TXK 1058/4885

“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.