SCHEMBL403300

SCHEMBL403300

CC(C)Oc1ccc(C(=O)O)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.58
RXRB P28702 4/20 0.58
RXRG P48443 3/20 0.58
KMT2A Q03164 1/20 0.49
S1PR3 Q99500 5/20 0.47
SRD5A2 P31213 1/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
TPMT P51580 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44

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
SCHEMBL1798095 0.88 RXRA (0.46) RXRARXRBRXRGKMT2AS1PR3
SCHEMBL2323936 0.88 RXRA (0.46) RXRARXRBRXRGKMT2AS1PR3
SCHEMBL30440283 0.88 RXRA (0.54) RXRARXRBRXRGKMT2AS1PR3
SCHEMBL17386570 0.88 RXRA (0.54) RXRARXRBRXRGKMT2AS1PR3
SCHEMBL17664021 0.86 RXRA (0.53) RXRARXRBRXRGKMT2AS1PR3
SCHEMBL8839093 0.86 RARB (0.52) RXRARXRBRXRGKMT2ARAB9A
SCHEMBL3495790 0.85 RXRA (0.47) RXRARXRBRXRGSRD5A2RAB9A
SCHEMBL27669788 0.85 RXRA (0.47) RXRARXRBRXRGSRD5A2RAB9A
SCHEMBL24860963 0.85 NOTUM (0.60) RXRARXRBRXRGKMT2AS1PR3
SCHEMBL402684 0.85 RXRA (0.52) RXRARXRBRXRGKMT2AS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102884064-A Process for preparing S1P1 receptor modulators and crystalline forms thereof ARENA PHARM INC 2013-01-16 CN claimed
EP-2542554-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF Arena Pharmaceuticals, Inc. (US) 2013-01-09 EP claimed
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2012-12-27 US claimed
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 WO claimed
US-20240376048-A1 Carboxylic Acid Containing Indanyl Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2024-11-14 US disclosed
EP-4444697-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2024-10-16 EP disclosed
CN-118632834-A Indanyl compounds containing carboxylic acids for the treatment of neurodegenerative diseases 细胞基因公司 2024-09-10 CN disclosed
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
WO-2023107563-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2023-06-15 WO disclosed
WO-2023107563-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2023-06-15 WO disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
US-11555015-B2 Compounds useful in the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2023-01-17 US disclosed
WO-2005058848-A1 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-06-30 WO disclosed
US-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 US disclosed
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 US disclosed
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders SMITHKLINE BEECHAM P.L.C. 2003-07-31 US disclosed
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 US disclosed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 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 (8 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-11555015-B2 Compounds useful in the treatment of autoimmune and inflammatory disorders S1PR1, S1PR5, S1PR3 RXRA 669/4885RXRB 736/4885RXRG 868/4885
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A RXRA 1791/4885RXRB 1748/4885RXRG 1862/4885
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF AZI2, GABBR2, CNDP2 RXRA 502/4885RXRB 545/4885RXRG 925/4885
US-20240376048-A1 Carboxylic Acid Containing Indanyl Compounds for the Treatment of Neurodegenerative Diseases S1PR5, S1PR2, LPAR5 RXRA 2022/4885RXRB 1684/4885RXRG 1591/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A RXRA 1791/4885RXRB 1748/4885RXRG 1862/4885
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof AZI2, GABBR2, CNDP2 RXRA 502/4885RXRB 545/4885RXRG 925/4885
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders PNMT, SLC6A2, GABBR1 RXRA 1842/4885RXRB 1817/4885RXRG 2630/4885
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 RXRA 1023/4885RXRB 1049/4885RXRG 1223/4885

“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.