SCHEMBL6834061

SCHEMBL6834061

CCCCN(CCCC)CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2C(=O)O)sc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
AKR1C2 P52895 3/20 0.43
AKR1C1 Q04828 3/20 0.43
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CYP2C19 P33261 2/20 0.39
METAP2 P50579 2/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
PLK1 P53350 6/20 0.36
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
PLK3 Q9H4B4 1/20 0.36

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
SCHEMBL6835806 0.84 POLB (0.45) POLBAKR1C2AKR1C1CA12CA9
SCHEMBL6834402 0.81 AKR1C2 (0.47) POLBAKR1C2AKR1C1KDM4ETDP1
SCHEMBL6834406 0.81 ALDH1A1 (0.44) POLBAKR1C2AKR1C1METAP2KDM4E
SCHEMBL6830522 0.79 CA12 (0.44) POLBAKR1C2AKR1C1CA12CA9
SCHEMBL6833867 0.75 METAP2 (0.52) METAP2KDM4E
SCHEMBL6833646 0.74 RPA1 (0.51) AKR1C2AKR1C1METAP2
SCHEMBL6833903 0.73 MEN1 (0.42) POLBAKR1C2AKR1C1METAP2TDP1
SCHEMBL6833913 0.72 ALB (0.38) POLBPLK1CYP2C9PLK3
SCHEMBL6833981 0.72 RPA1 (0.43) POLBAKR1C2AKR1C1METAP2
SCHEMBL6835788 0.72 METAP2 (0.45) POLBAKR1C2AKR1C1METAP2AKR1C4

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 POLB 637/4885AKR1C2 2596/4885AKR1C1 2161/4885

“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.