SCHEMBL6835617

SCHEMBL6835617

N#Cc1ccc(NC(=O)c2noc3ccc(-c4ccccc4CO)cc23)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.42
HIF1A Q16665 8/20 0.39
PRSS12 P56730 1/20 0.39
IDO1 P14902 1/20 0.38
ALB P02768 2/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
SERPINE1 P05121 2/20 0.36
MCL1 Q07820 1/20 0.36
F10 P00742 2/20 0.36
CETP P11597 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
SCHEMBL6834680 0.88 ACMSD (0.43) CDK2HIF1APRSS12ALBXDH
SCHEMBL6833960 0.88 MCL1 (0.43) CDK2HIF1APRSS12ALBXDH
SCHEMBL6834186 0.87 HIF1A (0.49) CDK2HIF1APRSS12ALBXDH
SCHEMBL6834495 0.87 HIF1A (0.41) CDK2HIF1APRSS12ALB
SCHEMBL6817661 0.86 PRSS12 (0.40) CDK2PRSS12IDO1ALBXDH
SCHEMBL6931399 0.86 HIF1A (0.39) CDK2HIF1APRSS12ALBMCL1
SCHEMBL6834124 0.85 XDH (0.40) HIF1APRSS12ALBXDHSLC22A12
SCHEMBL6830490 0.84 HIF1A (0.55) CDK2HIF1AALB
SCHEMBL6833249 0.81 MCL1 (0.41) HIF1APRSS12ALBXDHSLC22A12
SCHEMBL6833104 0.80 HIF1A (0.49) CDK2HIF1APRSS12ALBXDH

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 CDK2 4509/4885HIF1A 220/4885PRSS12 4112/4885

“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.