Sugi Predict

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SCHEMBL584829

SCHEMBL584829

CC(C)(C)OC(=O)NC1(CCS(=O)(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.36
▸ CA14 Q9ULX7 4/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA7 P43166 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ CTSL P07711 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PPIA P62937 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ APLNR P35414 1/20 0.33
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ CTSK P43235 1/20 0.31

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
SCHEMBL31495498 0.85 CTSL (0.34) CA12CA14CA1CA7CA2
SCHEMBL28088951 0.84 CA12 (0.37) CA12CA14CA1CA7CA2
SCHEMBL10799485 0.81 TDP1 (0.40) CA12CA14CA1CA7CA2
SCHEMBL3369497 0.80 TDP1 (0.42) CA12CA14CA1CA7CA2
SCHEMBL3366524 0.79 CA12 (0.34) CA12CA14CA1CA7CA2
SCHEMBL29470587 0.79 FOLH1 (0.40) CA12CA14CA1CA7CA2
SCHEMBL28142271 0.79 HDAC4 (0.37) CA12CA14CA1CA7CA2
SCHEMBL3364824 0.79 MEN1 (0.36) CA12CA14CA1CA7CA2
SCHEMBL23160914 0.79 FOLH1 (0.34) CA12CA14CA1CA7CA2
SCHEMBL26501507 0.78 MAOA (0.43) CA12CA1CA2TDP1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285628-A Compounds for the treatment and prophylaxis of respiratory syncytial virus infection diseases 石药集团中奇制药技术（石家庄）有限公司 2025-01-10 — — CN disclosed
WO-2022161447-A1 DICARBOXAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2022-08-04 — — WO disclosed
US-20140213508-A1 ANTIVIRAL MACROCYCLES SCYNEXIS, INC. (US) 2014-07-31 — — US disclosed
US-20140212381-A1 MACROCYCLES SCYNEXIS, INC. (US) 2014-07-31 — — US disclosed
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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-20140213508-A1 ANTIVIRAL MACROCYCLES HAVCR2, ICOS, ZC3HAV1 CA12 3495/4885CA14 2397/4885CA1 4434/4885
US-20140212381-A1 MACROCYCLES HAVCR2, ICOS, FKBP14 CA12 2638/4885CA14 1678/4885CA1 4085/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CA12 4885/4885CA14 4873/4885CA1 4857/4885

“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.