Sugi Predict

Sugi Predict / Compounds / SCHEMBL1243793

SCHEMBL1243793

SCHEMBL1243793

CN(Cc1ccc(C(=O)O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ RXRA P19793 3/20 0.44
▸ RXRB P28702 3/20 0.44
▸ RXRG P48443 2/20 0.44
▸ AOC3 Q16853 2/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ ALDH2 P05091 1/20 0.42
▸ MEP1B Q16820 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL31725156 0.88 PYCR1 (0.49) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL14829450 0.86 AOC3 (0.45) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL7190668 0.85 RIPK1 (0.57) HDAC1HDAC3HDAC2NCOR2HTR2C
SCHEMBL23448763 0.85 HRH3 (0.44) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL1935356 0.85 LOXL2 (0.49) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL379891 0.85 ESRRG (0.47) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL8786539 0.84 GLS (0.44) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL2229917 0.84 MTOR (0.48) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL1935308 0.84 PPARG (0.46) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL25546128 0.84 HSP90AA1 (0.43) HDAC1HDAC3HDAC2NCOR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO claimed
US-20260007787-A1 RADIOPHARMACEUTICAL SMALL MOLECULE INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN FOR TARGETED THERAPY AND DIAGNOSTIC IMAGING OF DESMOPLASTIC TUMORS TRUSTEES OF TUFTS COLLEGE 2026-01-08 — — US disclosed
CN-117794924-A Compounds useful as inhibitors of ATR kinase 苏州爱科百发生物医药技术有限公司 2024-03-29 — — CN disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 — — US disclosed
WO-2022108507-A1 Chemoselective probes and uses thereof LIN WEIFENG (SE) 2022-05-27 — — WO disclosed
WO-2022108507-A1 Chemoselective probes and uses thereof LIN WEIFENG (SE) 2022-05-27 — — WO disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 — — US disclosed
EP-2694498-B1 AMINOPYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF TRA KINASE VERTEX PHARMA (US) 2016-03-30 — — EP disclosed
US-8877759-B2 Aminopyrazines as ATR kinase inhibitors Vertex Pharnaceuticals Incorporated (US) 2014-11-04 — — US disclosed
EP-2694498-A1 AMINOPYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF TRA KINASE Vertex Pharmaceuticals Incorporated (US) 2014-02-12 — — EP disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 — — EP disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 — — WO disclosed
CN-1227230-C Prodrugs to NMDA receptor ligands HOFFMANN LA ROCHE (CH) 2005-11-16 — — CN disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 — — US disclosed
CN-1447793-A Prodrugs to NMDA receptor ligands HOFFMANN LA ROCHE (CH) 2003-10-08 — — CN disclosed
EP-1313703-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-28 — — EP disclosed
US-6407235-B1 A NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR-SUBTYPE SELECTIVE BLOCKERS; PRODRUGS HAVE IMPROVED SOLUBILITY AND ARE HYDROLYZED IN VIVO; FOR EXAMPLE, THE 4-AMINOMETHYL-BENZOIC ACID ESTER OF THE PHENOL, OR THE PHOSPHATE ESTER HOFFMANN-LA ROCHE INC. 2002-06-18 — — US disclosed
US-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol EVOTEC INTERNATIONAL GMBH (DE) 2002-04-04 — — US disclosed
WO-2002016321-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-28 — — WO disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 — — EP 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-20260007787-A1 RADIOPHARMACEUTICAL SMALL MOLECULE INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN FOR TARGETED THERAPY AND DIAGNOSTIC IMAGING OF DESMOPLASTIC TUMORS FIBP, FRS2, FGFR1 HDAC1 311/4885HDAC3 403/4885HDAC2 1879/4885
US-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol HAO2, CYP2B6, CBR1 HDAC1 838/4885HDAC3 318/4885HDAC2 451/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 HDAC1 502/4885HDAC3 73/4885HDAC2 536/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HDAC1 502/4885HDAC3 73/4885HDAC2 536/4885
US-20030203946-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR HDAC1 2196/4885HDAC3 1032/4885HDAC2 2516/4885

“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.