SCHEMBL5388683

SCHEMBL5388683

CN(CCc1ccc(C#N)cc1)C(=O)CCNCS(=O)(=O)c1cc2ccccc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.38
ALDH1A1 P00352 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
ACKR3 P25106 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
LSS P48449 2/20 0.32
MAPT P10636 1/20 0.32
CA2 P00918 2/20 0.32
MMP3 P08254 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HAT1 O14929 2/20 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
SCHEMBL5388679 0.84 FNTA (0.39) TPSAB1ALDH1A1FNTAFNTBPOLB
SCHEMBL5388820 0.83 BDKRB1 (0.39)
Hydrochloric Acid SCHEMBL5385660 0.82 BDKRB1 (0.39)
SCHEMBL5377585 0.76 CNR1 (0.38) ALDH1A1POLBKMT2ALSSCA2
SCHEMBL5390482 0.75 CNR1 (0.33) ALDH1A1POLBLTB4RLTB4R2SIGMAR1
SCHEMBL5393811 0.75 LSS (0.39) ALDH1A1POLBSIGMAR1TMEM97LSS
SCHEMBL5385878 0.73 CDK8 (0.43) CA2CA1CA9
SCHEMBL5383417 0.73 PTGDR2 (0.41) LSSCA2CA12CA1CA4
SCHEMBL5385750 0.71 CNR1 (0.35) POLBLTB4RLTB4R2SIGMAR1TMEM97
SCHEMBL5396907 0.69 CNR1 (0.36) ALDH1A1POLBKMT2ASIGMAR1TMEM97

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 TPSAB1 18/4885ALDH1A1 3179/4885FNTA 3095/4885

“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.