SCHEMBL265063

SCHEMBL265063

CC[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.83
PPARG P37231 3/20 0.67
CPA1 P15085 7/20 0.66
CPA3 P15088 3/20 0.66
FOLH1 Q04609 3/20 0.66
CPB1 P15086 1/20 0.66
CPB2 Q96IY4 1/20 0.66
SLC1A3 P43003 1/20 0.59
SLC1A2 P43004 1/20 0.59
SLC1A1 P43005 1/20 0.59
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57
MME P08473 1/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.54

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
SCHEMBL265514 1.00 CYP1A2 (0.83) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL491524 1.00 CYP1A2 (0.83) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL4664822 0.91 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL12493651 0.90 CYP1A2 (0.74) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL22115491 0.89 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL27291058 0.89 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9875948 0.89 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL4886609 0.88 CYP1A2 (0.69) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL21895912 0.86 CYP1A2 (0.67) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL11634382 0.86 CYP1A2 (0.67) CYP1A2PPARGCPA1CPA3FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024410-A1 THREE-DIMENTIONAL SURFACE FOR PROTEIN AND SMALL MOLECULE MICROARRAYS THE JOHNS HOPKINS UNIVERSITY 2024-01-25 US disclosed
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-11708391-B2 Rapaglutins, novel inhibitors of GLUT and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2023-07-25 US disclosed
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP disclosed
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP disclosed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 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-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GRIN1, GRIN3A, GRIN2C CYP1A2 3272/4885PPARG 1250/4885CPA1 4742/4885
US-11708391-B2 Rapaglutins, novel inhibitors of GLUT and use thereof SLC2A1, SLC2A4, SLC2A2 CYP1A2 3807/4885PPARG 906/4885CPA1 3224/4885
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 CYP1A2 1317/4885PPARG 1365/4885CPA1 2362/4885
US-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R CYP1A2 1088/4885PPARG 509/4885CPA1 745/4885
US-20240024410-A1 THREE-DIMENTIONAL SURFACE FOR PROTEIN AND SMALL MOLECULE MICROARRAYS MRPS23, CD2BP2, MRPL21 CYP1A2 4720/4885PPARG 4600/4885CPA1 2868/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 CYP1A2 2147/4885PPARG 2451/4885CPA1 2108/4885

“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.