SCHEMBL16006818

SCHEMBL16006818

COc1ccc(C)c2c1c(NS(C)(=O)=O)nn2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ APLNR P35414 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ CYP17A1 P05093 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ACLY P53396 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ PTGS1 P23219 1/20 0.33

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
SCHEMBL16006458 0.86 KEAP1 (0.34) KMT2ABRD4KDM4EALDH1A1GAA
SCHEMBL15995809 0.85 CCR4 (0.41) CCR4MAPTKMT2AAPLNRBRD4
SCHEMBL17621275 0.84 CCR4 (0.40) CCR4MAPTKMT2AAPLNRBRD4
SCHEMBL19788792 0.83 CCR4 (0.42) CCR4MAPTKMT2ACYP19A1APLNR
SCHEMBL26380817 0.83 CCR4 (0.39) CCR4MAPTKMT2AAPLNRBRD4
SCHEMBL24997685 0.81 CCR4 (0.38) CCR4MAPTKMT2AAPLNRBRD4
SCHEMBL16006406 0.81 CCR4 (0.36) CCR4MAPTKMT2ANMT1CYP17A1
SCHEMBL16006420 0.77 PTGS2 (0.35) MAPTBRD4PTGS2
SCHEMBL16006826 0.74 CA1 (0.37) CCR4MAPTBRD4NMT1KDM4E
SCHEMBL19788825 0.73 CHRM4 (0.31) CCR4KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021262990-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2021-12-30 — — WO disclosed
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 — — EP disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 — — US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 — — US disclosed
WO-2014134566-A2 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-09-04 — — WO 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-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 CCR4 835/4885MAPT 1547/4885KMT2A 4689/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD CCR4 895/4885MAPT 1618/4885KMT2A 4702/4885

“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.

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