SCHEMBL4174029

SCHEMBL4174029

Cc1ccc(S(=O)(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)NC(C)CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PSMB8 P28062 14/20 0.44
PSMB5 P28074 12/20 0.43
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4174025 1.00 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C19PSMB8PSMB5
SCHEMBL4176649 0.86 PSMB8 (0.43) ALDH1A1CYP3A4CYP2C19PSMB8PSMB5
SCHEMBL4176652 0.86 PSMB8 (0.43) ALDH1A1CYP3A4CYP2C19PSMB8PSMB5
SCHEMBL4174786 0.84 TDP1 (0.47) ALDH1A1CYP3A4CYP2C19PSMB8PSMB5
SCHEMBL4172106 0.83 TDP1 (0.54) ALDH1A1CYP3A4CYP2C19PSMB8PSMB5
SCHEMBL4177606 0.80 PSMB8 (0.48) PSMB8PSMB5
SCHEMBL4177600 0.80 PSMB8 (0.48) PSMB8PSMB5
SCHEMBL22500322 0.74 KMT2A (0.66) ALDH1A1TSHR
SCHEMBL29272845 0.74 KMT2A (0.66) ALDH1A1TSHR
SCHEMBL20052441 0.74 MMP9 (0.44) ALDH1A1CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 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-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 ALDH1A1 2655/4885CYP3A4 2311/4885CYP2C19 1641/4885

“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.