SCHEMBL16006485

SCHEMBL16006485

Cc1ccc(Cl)c2c(NC(=O)[C@H](C)O)nn(C)c12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ XIAP P98170 1/20 0.32
▸ POLB P06746 1/20 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
SCHEMBL16006561 1.00 MAPT (0.37) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL16006510 0.91 KDM4E (0.45) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL16158003 0.87 ALDH1A1 (0.35) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL17621512 0.85 CASP1 (0.34) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL24997738 0.84 MAPK14 (0.34) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL19788893 0.84 MAPK14 (0.34) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL16006821 0.84 ALDH1A1 (0.50) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL16158002 0.83 ALDH1A1 (0.37) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL16006436 0.82 AGPAT2 (0.37) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL16158005 0.81 KDM4E (0.45) MAPTKDM4ECASP1CASP7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 — — US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 — — US disclosed
WO-2021262990-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2021-12-30 — — WO 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
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
WO-2016033243-A9 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-05-19 — — WO 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 (5 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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 MAPT 170/4885KDM4E 1624/4885CASP1 524/4885
US-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 MAPT 1547/4885KDM4E 4453/4885CASP1 1229/4885
US-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 MAPT 1547/4885KDM4E 4453/4885CASP1 1229/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD MAPT 1618/4885KDM4E 4478/4885CASP1 1194/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 MAPT 170/4885KDM4E 1624/4885CASP1 524/4885

“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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