SCHEMBL5388679

SCHEMBL5388679

CN(CCc1ccc(C#N)cc1)C(=O)CCN(C)S(=O)(=O)c1cc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
SQLE Q14534 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.34
LTB4R Q15722 4/20 0.34
LTB4R2 Q9NPC1 4/20 0.34
TPSAB1 Q15661 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
BDKRB1 P46663 1/20 0.32
NR3C1 P04150 1/20 0.32

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
SCHEMBL5388683 0.84 TPSAB1 (0.38) FNTAFNTBALDH1A1CA2LTB4R
SCHEMBL5388817 0.82 BDKRB1 (0.52) BDKRB1
Hydrochloric Acid SCHEMBL5385651 0.81 BDKRB1 (0.51) BDKRB1
SCHEMBL5384358 0.79 BDKRB1 (0.40) LTB4RLTB4R2TAS2R14TSHRBDKRB1
SCHEMBL5402491 0.77 ALDH1A1 (0.49) FNTAFNTBALDH1A1POLBTSHR
SCHEMBL5383440 0.76 PKM (0.39) LTB4RLTB4R2HRH3TSHRBDKRB1
SCHEMBL5377586 0.76 ALDH1A1 (0.48) ALDH1A1CA2POLBKMT2ABDKRB1
SCHEMBL5390477 0.73 BDKRB1 (0.38) LTB4RLTB4R2TSHRBDKRB1
SCHEMBL5385870 0.73 RAB9A (0.46) ALDH1A1LTB4RLTB4R2TSHR
SCHEMBL5383420 0.70 BDKRB1 (0.46) LTB4RLTB4R2TSHRBDKRB1

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-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 FNTA 3095/4885FNTB 2808/4885SQLE 3021/4885

“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.