Sugi Predict

Sugi Predict / Compounds / SCHEMBL219211

SCHEMBL219211

SCHEMBL219211

CC(C)(C)OC(=O)NC(C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 6/20 0.55
▸ CTSL P07711 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ S1PR1 P21453 3/20 0.43
▸ S1PR2 O95136 2/20 0.43
▸ S1PR4 O95977 2/20 0.43
▸ GABRB1 P18505 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ACE P12821 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TRPA1 O75762 1/20 0.40

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
SCHEMBL30370359 1.00 S1PR3 (0.55) S1PR3CTSLCTSSCTSKKEAP1
SCHEMBL5576749 1.00 S1PR3 (0.55) S1PR3CTSLCTSSCTSKKEAP1
SCHEMBL26148553 1.00 S1PR3 (0.55) S1PR3CTSLCTSSCTSKKEAP1
SCHEMBL17664004 0.88 S1PR3 (0.54) S1PR3CTSLCTSSCTSKS1PR1
SCHEMBL31749408 0.87 S1PR3 (0.58) S1PR3CTSLCTSSCTSKS1PR1
SCHEMBL2231865 0.86 CTSS (0.45) S1PR3CTSLCTSSCTSKGABRB1
SCHEMBL5575575 0.86 S1PR3 (0.57) S1PR3CTSLCTSSCTSKS1PR1
SCHEMBL31230471 0.85 CTSK (0.51) S1PR3CTSSCTSKGABRB1GABRB2
SCHEMBL14161705 0.85 CTSK (0.51) S1PR3CTSSCTSKGABRB1GABRB2
SCHEMBL10891091 0.85 CTSK (0.51) S1PR3CTSSCTSKGABRB1GABRB2

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 — — US disclosed
EP-4126876-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS Global Blood Therapeutics, Inc. (US) 2023-02-08 — — EP disclosed
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 — — CN disclosed
WO-2021202796-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-10-07 — — WO disclosed
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2018-10-18 — — US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 — — US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 — — US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 — — US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 — — US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 — — US disclosed
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 — — US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 — — US disclosed
WO-2010039789-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2010-04-08 — — WO disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 — — EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 — — US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 — — EP disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 — — EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 — — US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 — — WO disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 — — 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 (6 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-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS S1PR3 167/4885CTSL 2992/4885CTSS 3066/4885
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 S1PR3 69/4885CTSL 1142/4885CTSS 1961/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 S1PR3 68/4885CTSL 1387/4885CTSS 2298/4885
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS S1PR3 167/4885CTSL 2992/4885CTSS 3066/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 S1PR3 69/4885CTSL 1142/4885CTSS 1961/4885
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM S1PR3 1644/4885CTSL 3701/4885CTSS 4325/4885

“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.