SCHEMBL6349535

SCHEMBL6349535

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(I)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 12/20 0.74
KCNK2 O95069 1/20 0.66
KCNK10 P57789 1/20 0.66
AKR1C4 P17516 1/20 0.66
AKR1C3 P42330 1/20 0.66
AKR1C2 P52895 1/20 0.66
AKR1C1 Q04828 1/20 0.66
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
KDM4E B2RXH2 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL6358123 0.88 SERPINE1 (0.89) SERPINE1KCNK2KCNK10AKR1C4AKR1C3
SCHEMBL6351321 0.88 SERPINE1 (0.89) SERPINE1KCNK2KCNK10AKR1C4AKR1C3
SCHEMBL421010 0.85 SERPINE1 (1.00) SERPINE1KCNK2KCNK10AKR1C4AKR1C3
SCHEMBL420616 0.85 SERPINE1 (1.00) SERPINE1KCNK2KCNK10AKR1C4AKR1C3
SCHEMBL420142 0.84 SERPINE1 (1.00) SERPINE1KCNK2KCNK10AKR1C4AKR1C3
SCHEMBL6352581 0.84 AKR1C4 (0.78) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL417476 0.84 SERPINE1 (0.56) SERPINE1KCNK2KCNK10KDM4EHSD17B10
SCHEMBL19554134 0.84 SERPINE1 (0.68) SERPINE1KCNK2KCNK10AKR1C4AKR1C3
SCHEMBL29838671 0.82 SERPINE1 (1.00) SERPINE1KCNK2KCNK10AKR1C4AKR1C3
SCHEMBL418988 0.82 SERPINE1 (1.00) SERPINE1KCNK2KCNK10AKR1C4AKR1C3

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-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

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 SERPINE1 1929/4885KCNK2 4133/4885KCNK10 3271/4885

“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.