SCHEMBL16006409

SCHEMBL16006409

Cc1cccc2c(NS(C)(=O)=O)nn(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 1/20 0.42
CCR4 P51679 1/20 0.40
SSTR4 P31391 3/20 0.38
SSTR1 P30872 1/20 0.38
NAMPT P43490 2/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
BRD4 O60885 3/20 0.35
CREBBP Q92793 1/20 0.35
CECR2 Q9BXF3 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
KAT2B Q92831 3/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL16006424 0.87 CCR4 (0.40) CCR4SSTR4SSTR1NAMPTALKBH5
SCHEMBL24142870 0.85 BRD4 (0.46) CCR4SSTR4SSTR1NAMPTBRD4
SCHEMBL20430021 0.85 CCR4 (0.40) KEAP1NFE2L2CCR4BRD4CREBBP
SCHEMBL15995704 0.84 KEAP1 (0.41) KEAP1NFE2L2CCR4BRD4KAT2B
SCHEMBL15886675 0.82 CCR4 (0.39) KEAP1CCR4BRD4KAT2BSMN1; SMN2
SCHEMBL24249717 0.82 KEAP1 (0.43) KEAP1NFE2L2CCR4KAT2BKDM4E
SCHEMBL16157871 0.82 CCR4 (0.37) CCR4SSTR4SSTR1NAMPTALKBH5
SCHEMBL16154652 0.81 CCR4 (0.41) KEAP1CCR4SSTR4BRD4KDM4E
SCHEMBL20430326 0.81 L3MBTL1 (0.45) KEAP1CCR4BRD4KAT2BKDM4E
SCHEMBL16158035 0.80 KAT2B (0.37) CCR4SSTR4SSTR1KAT2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954679-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS Gilead Sciences, Inc. (US) 2022-02-16 EP disclosed
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
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 EP disclosed
EP-2943481-B1 (HETERO)ARYLACETAMIDE DERIVATIVES AS ANTIRETROVIRAL AGENTS GILEAD SCIENCES INC (US) 2018-05-02 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-9050344-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-06-09 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 (4 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-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 KEAP1 2233/4885NFE2L2 3042/4885CCR4 835/4885
US-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 KEAP1 2233/4885NFE2L2 3042/4885CCR4 835/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KEAP1 2091/4885NFE2L2 2943/4885CCR4 895/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KEAP1 2091/4885NFE2L2 2943/4885CCR4 895/4885

“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.