SCHEMBL6352280

SCHEMBL6352280

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(SCc2ccccc2)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.57
SERPINE1 P05121 8/20 0.57
CA2 P00918 3/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA7 P43166 1/20 0.53
KCNK2 O95069 1/20 0.49
KCNK10 P57789 1/20 0.49
TP53 P04637 1/20 0.48
MCL1 Q07820 1/20 0.47
BCL2A1 Q16548 1/20 0.47

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
SCHEMBL6352355 0.84 CA9 (0.53) CA9SERPINE1CA2AKR1C4AKR1C3
SCHEMBL11820343 0.76 MRGPRX4 (0.54)
SCHEMBL6351321 0.75 SERPINE1 (0.89) CA9SERPINE1CA2AKR1C4AKR1C3
SCHEMBL10339426 0.74 SERPINE1 (0.69) CA9SERPINE1CA2
SCHEMBL421010 0.73 SERPINE1 (1.00) CA9SERPINE1CA2AKR1C4AKR1C3
SCHEMBL420616 0.73 SERPINE1 (1.00) CA9SERPINE1CA2AKR1C4AKR1C3
SCHEMBL1308303 0.73 TP53 (0.78) CA9SERPINE1CA2AKR1C4AKR1C3
SCHEMBL6350712 0.73 AKR1C2 (0.63) AKR1C4AKR1C3AKR1C2AKR1C1KCNK2
SCHEMBL19554134 0.72 SERPINE1 (0.68) CA9SERPINE1CA2AKR1C4AKR1C3
SCHEMBL19554148 0.72 DHODH (0.70) CA9SERPINE1CA2AKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 CA9 2085/4885SERPINE1 1929/4885CA2 3698/4885

“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.