SCHEMBL23378592

SCHEMBL23378592

CSc1ccc(C(=O)O)c(-c2c3ccc(=N)cc-3oc3cc(N)ccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.58
USP2 O75604 4/20 0.56
ATM Q13315 2/20 0.56
CFTR P13569 1/20 0.56
PAX8 Q06710 1/20 0.56
GOPC Q9HD26 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
DNASE1L3 Q13609 1/20 0.40
PRMT1 Q99873 1/20 0.40
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
MCL1 Q07820 1/20 0.34
CA9 Q16790 5/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
FTO Q9C0B1 2/20 0.32

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
SCHEMBL17695458 0.87 ABCB1 (0.61) ABCB1USP2ATMCFTRPAX8
SCHEMBL10082964 0.85 ABCB1 (0.59) ABCB1USP2ATMCFTRPAX8
SCHEMBL19269178 0.85 ABCB1 (0.59) ABCB1USP2ATMCFTRPAX8
SCHEMBL14176752 0.83 ABCB1 (0.62) ABCB1USP2ATMCFTRPAX8
SCHEMBL458205 0.83 ABCB1 (0.77) ABCB1USP2ATMCFTRPAX8
SCHEMBL12964718 0.83 ABCB1 (0.56) ABCB1USP2ATMCFTRPAX8
SCHEMBL23182124 0.82 ABCB1 (0.59) ABCB1USP2ATMCFTRPAX8
Hydrochloric Acid SCHEMBL5606345 0.82 USP2 (0.76) ABCB1USP2ATMCFTRPAX8
Hydrochloric Acid SCHEMBL29376502 0.82 USP2 (0.76) ABCB1USP2ATMCFTRPAX8
SCHEMBL18626401 0.82 ABCB1 (0.55) ABCB1USP2ATMCFTRPAX8

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-12030864-B2 Small molecule anticancer agents, combinations and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-09 US disclosed
US-20210147379-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS, COMBINATIONS AND USES THEREOF University of Florda Research Foundation,Incorporated (US) 2021-05-20 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 (2 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-20210147379-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS, COMBINATIONS AND USES THEREOF MKI67, TP53, PLK1 ABCB1 853/4885USP2 2726/4885ATM 611/4885
US-12030864-B2 Small molecule anticancer agents, combinations and uses thereof MKI67, TP53, PCNA ABCB1 649/4885USP2 3220/4885ATM 730/4885

“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.