SCHEMBL16006826

SCHEMBL16006826

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.37
▸ CA2 P00918 9/20 0.37
▸ TSHR P16473 1/20 0.34
▸ ENPP1 P22413 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ CCR4 P51679 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ NMT1 P30419 1/20 0.31
▸ CA12 O43570 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL16006519 0.90 L3MBTL1 (0.36) CA1CA2TSHRENPP1L3MBTL1
SCHEMBL17761192 0.88 CA1 (0.33) CA1CA2TSHRENPP1
SCHEMBL16006458 0.87 KEAP1 (0.34) CA1CA2TSHRGAABRD4
SCHEMBL16158062 0.87 LMNA (0.35) CA1CA2TSHRENPP1BRD4
SCHEMBL19788721 0.86 CA1 (0.32) CA1CA2TSHRENPP1L3MBTL1
SCHEMBL16157996 0.82 CA2 (0.37) CA1CA2
SCHEMBL16006424 0.80 CCR4 (0.40) CA1CA2ENPP1CCR4BRD4
SCHEMBL16006823 0.77 NMT1 (0.36) TSHRBRD4NMT1
SCHEMBL24997652 0.74 L3MBTL1 (0.38) TSHRL3MBTL1GAABRD4KDM4E
SCHEMBL16006572 0.74 CCR4 (0.34) TSHRL3MBTL1CCR4NMT1

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
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 CA1 4241/4885CA2 4692/4885TSHR 4738/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD CA1 4211/4885CA2 4656/4885TSHR 4662/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD CA1 4211/4885CA2 4656/4885TSHR 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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