SCHEMBL5377532

SCHEMBL5377532

Cc1cc(S(=O)(=O)N(C)CCNC(=O)CCc2ccc(C#N)cc2)c(C)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
KCNH2 Q12809 1/20 0.39
CCNT1 O60563 1/20 0.39
FLT3 P36888 1/20 0.39
CDK9 P50750 1/20 0.39
PYGL P06737 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
CNR1 P21554 1/20 0.36
GSTO1 P78417 2/20 0.36
FFAR1 O14842 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
RORC P51449 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL5242486 0.85 CCNT1 (0.40) CCNT1FLT3CDK9ALDH1A1SMN1; SMN2
SCHEMBL5377536 0.82 GRIN1 (0.41) GRIN1GRIN2BKCNH2PYGLALDH1A1
SCHEMBL5385343 0.82 BDKRB1 (0.52)
SCHEMBL5377297 0.79 GAA (0.41) GRIN1GRIN2BKCNH2PYGLALDH1A1
SCHEMBL5242481 0.76 CDK8 (0.35) ALDH1A1SMN1; SMN2GAACNR1FFAR1
SCHEMBL5384357 0.75 BDKRB1 (0.40) GRIN1GRIN2BALDH1A1CNR1POLB
SCHEMBL5396899 0.68 BDKRB1 (0.44) CNR1FFAR1KMT2A
SCHEMBL5377586 0.68 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CNR1GSTO1POLB
SCHEMBL5384358 0.67 BDKRB1 (0.40) SMN1; SMN2FFAR1HTT
SCHEMBL5378918 0.67 BDKRB1 (0.60)

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 GRIN1 76/4885GRIN2B 111/4885KCNH2 128/4885

“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.