SCHEMBL5383440

SCHEMBL5383440

Cc1cc(C)c(S(=O)(=O)N(C)CCC(=O)N(C)CCc2ccc(C#N)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
HRH3 Q9Y5N1 3/20 0.37
FFAR1 O14842 3/20 0.37
TSHR P16473 1/20 0.36
STAT3 P40763 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
STAT5B P51692 1/20 0.35
BDKRB1 P46663 1/20 0.35
KEAP1 Q14145 1/20 0.35
HCRTR2 O43614 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NSD2 O96028 1/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL5401771 0.92 FFAR1 (0.39) PKMHRH3FFAR1TSHRSTAT3
SCHEMBL5390477 0.84 BDKRB1 (0.38) FFAR1TSHRLTB4RLTB4R2L3MBTL1
SCHEMBL5390480 0.79 BDKRB1 (0.57) PKMBDKRB1
Hydrochloric Acid SCHEMBL5378909 0.79 BDKRB1 (0.57) PKMBDKRB1
SCHEMBL5377586 0.78 ALDH1A1 (0.48) L3MBTL1BDKRB1
SCHEMBL5384358 0.78 BDKRB1 (0.40) FFAR1TSHRLTB4RLTB4R2BDKRB1
SCHEMBL5388679 0.76 FNTA (0.39) HRH3TSHRLTB4RLTB4R2BDKRB1
SCHEMBL5385870 0.75 RAB9A (0.46) TSHRLTB4RLTB4R2L3MBTL1HCRTR2
SCHEMBL5383420 0.75 BDKRB1 (0.46) TSHRLTB4RLTB4R2BDKRB1HCRTR2
SCHEMBL5401872 0.75 BDKRB1 (0.57) PKMBDKRB1

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 PKM 1431/4885HRH3 12/4885FFAR1 770/4885

“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.