SCHEMBL16006458

SCHEMBL16006458

Cc1ccc(C)c2c1c(NS(C)(=O)=O)nn2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KAT2B Q92831 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM4 P08173 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ BRD4 O60885 3/20 0.32
▸ CREBBP Q92793 3/20 0.32
▸ CECR2 Q9BXF3 2/20 0.32
▸ BRD9 Q9H8M2 2/20 0.32
▸ PTGS2 P35354 3/20 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
SCHEMBL16006823 0.89 NMT1 (0.36) KEAP1NFE2L2TSHRKMT2AALDH1A1
SCHEMBL16006406 0.88 CCR4 (0.36) KEAP1NFE2L2TSHRKMT2AABL1
SCHEMBL16006826 0.87 CA1 (0.37) TSHRKDM4ECA12CA1CA2
SCHEMBL19788825 0.86 CHRM4 (0.31) TSHRKMT2AKDM4ESMN1; SMN2CHRM4
SCHEMBL16006818 0.86 CCR4 (0.41) KMT2AALDH1A1KDM4ESMN1; SMN2BRD4
SCHEMBL24997652 0.86 L3MBTL1 (0.38) TSHRKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL16006420 0.84 PTGS2 (0.35) TSHRCHRM4BRD4CREBBPCECR2
SCHEMBL16157996 0.82 CA2 (0.37) SMN1; SMN2CA1CA2PTGS2PTGS1
SCHEMBL16006656 0.79 CA1 (0.35) CA12CA1CA2CA9
SCHEMBL16006409 0.78 KEAP1 (0.42) KEAP1NFE2L2KMT2AKDM4ESMN1; 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 7 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-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 — — EP 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-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 — — 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 (3 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 KEAP1 2233/4885NFE2L2 3042/4885TSHR 4738/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KEAP1 2091/4885NFE2L2 2943/4885TSHR 4662/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KEAP1 2091/4885NFE2L2 2943/4885TSHR 4662/4885

“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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