SCHEMBL4500812

SCHEMBL4500812

COc1cc2[nH]ccc2cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 4/20 0.58
HPGD P15428 3/20 0.58
MAPK14 Q16539 3/20 0.55
HSD17B10 Q99714 2/20 0.53
PTPRC P08575 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPRB P23467 1/20 0.52
PTPRE P23469 1/20 0.52
PTPN6 P29350 1/20 0.52
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49

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
SCHEMBL22396553 0.86 MAPK14 (0.51) ALDH1A1KDM4EHPGDMAPK14PTPRC
SCHEMBL27980556 0.86 MAPK14 (0.51) MAPK14PTPRCPTPN2PTPN1PTPRB
SCHEMBL4493257 0.83 PTPRC (0.49) ALDH1A1KDM4EHPGDMAPK14HSD17B10
SCHEMBL14465321 0.81 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPK14TUBB4A
SCHEMBL6422791 0.81 PTPRC (0.63) ALDH1A1KDM4EHPGDHSD17B10PTPRC
SCHEMBL21070463 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDMAPK14HSD17B10
SCHEMBL1891113 0.80 IMPDH2 (0.50) ALDH1A1KDM4EHPGDMAPK14HSD17B10
SCHEMBL31664243 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDMAPK14HSD17B10
SCHEMBL12869677 0.79 MAOB (0.48) KDM4EMAPK14TUBB4ATUBBTUBA3C
SCHEMBL6421819 0.79 PTPRC (0.55) ALDH1A1KDM4EHPGDMAPK14HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7304048-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-12-04 US disclosed
US-7304048-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-12-04 US disclosed
US-7304048-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-12-04 US disclosed
US-7291613-B2 Inhibitors of p38 kinase SCIOS, INC. (US) 2007-11-06 US disclosed
US-7291613-B2 Inhibitors of p38 kinase SCIOS, INC. (US) 2007-11-06 US disclosed
US-7291613-B2 Inhibitors of p38 kinase SCIOS, INC. (US) 2007-11-06 US disclosed
EP-1178983-B1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-10-24 EP disclosed
US-20030144520-A1 Indole-type derivatives as inhibitors of p38 kinase MAVUNKEL BABU J (US) 2003-07-31 US disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
US-20030092717-A1 Inhibitors of p38 kinase SCIOS, INC. 2003-05-15 US disclosed
WO-2002042292-A2 INDOL DERIVATIVE AND THEIR USE AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2002-05-30 WO disclosed
EP-1178983-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE Scios Inc. (US) 2002-02-13 EP disclosed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US disclosed
CN-1305464-A Heterocyclic compounds and methods to treat cardiac failure and other disorders SCIOS INC (US) 2001-07-25 CN disclosed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
WO-2000071535-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2000-11-30 WO disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 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 (2 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-20030144520-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 ALDH1A1 1880/4885KDM4E 2597/4885HPGD 1430/4885
US-20030092717-A1 Inhibitors of p38 kinase MAPK1, CNKSR1, MOK ALDH1A1 2031/4885KDM4E 3072/4885HPGD 2350/4885

“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.