SCHEMBL6908215

SCHEMBL6908215

CCC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.74
NPY5R Q15761 13/20 0.60
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
AOC3 Q16853 2/20 0.54
NPY2R P49146 2/20 0.51

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
SCHEMBL3447214 1.00 GAA (0.74) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL6223855 1.00 GAA (0.74) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL26707660 1.00 GAA (0.74) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL3447213 1.00 GAA (0.74) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL8285851 0.85 GAA (1.00) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL13893334 0.85 GAA (0.72) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL9907064 0.85 GAA (0.72) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL8728635 0.85 GAA (0.72) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL8561317 0.85 GAA (1.00) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL879389 0.85 GAA (1.00) GAANPY5RKDM4EALDH1A1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416252-A1 PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE JANSSEN PHARMACEUTICA NV (BE) 2023-12-28 US disclosed
EP-4225757-A1 A PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}-1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B] [1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE Bristol-Myers Squibb Company (US) 2023-08-16 EP disclosed
WO-2022081473-A1 A PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}-1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B] [1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-21 WO disclosed
US-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same UNIV YALE (US) 2017-10-26 US disclosed
US-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same UNIV YALE (US) 2017-10-26 US disclosed
US-9632089-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2017-04-25 US disclosed
US-9632089-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2017-04-25 US disclosed
US-20170067874-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-09 US disclosed
US-20170067874-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-09 US disclosed
US-9500653-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2016-11-22 US disclosed
US-9500653-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2016-11-22 US disclosed
US-20140302523-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same YALE UNIVERSITY (US) 2014-10-09 US disclosed
US-20140302523-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same YALE UNIVERSITY (US) 2014-10-09 US disclosed
WO-2014108526-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF PIPECOLIDEPSIN COMPOUNDS PHARMA MAR, S.A. (ES) 2014-07-17 WO disclosed
US-7354919-B2 Isoxazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-08 US disclosed
US-20040077728-A1 Retiferol derivatives and their use in the treatment of skin diseases or conditions associated with photodamage F. HOFFMANN-LA ROCHE AG (CH) 2004-04-22 US disclosed
EP-0751927-A4 SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY CALIFORNIA INST OF TECHN (US) 1998-07-29 EP disclosed
EP-0751927-A1 SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-01-08 EP disclosed
US-5488131-A Synthesis of compounds with predetermined chirality CALIFORNIA INSTITUTE OF TECHNOLOGY 1996-01-30 US disclosed
WO-1995025714-A1 SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1995-09-28 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 (4 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-20040077728-A1 Retiferol derivatives and their use in the treatment of skin diseases or conditions associated with photodamage NR1H2, RFC2, RFC1 GAA 4070/4885NPY5R 942/4885KDM4E 1276/4885
US-20230416252-A1 PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE CYP1B1, AZI2, TET1 GAA 2145/4885NPY5R 1907/4885KDM4E 689/4885
US-20170067874-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 GAA 532/4885NPY5R 4726/4885KDM4E 3911/4885
US-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 GAA 538/4885NPY5R 4732/4885KDM4E 3832/4885

“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.