SCHEMBL2974409

SCHEMBL2974409

CC(C)CC(NC(=O)c1cccc2ccn(CC(=O)O)c12)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 4/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
PTGER4 P35408 4/20 0.45
PTGDR Q13258 4/20 0.45
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
KCNA5 P22460 2/20 0.39

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
SCHEMBL2979544 0.72 PTGER4 (0.52) ALDH1A1PTGER4
SCHEMBL2988947 0.70 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL2988953 0.70 ALDH1A1 (0.49) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL2974674 0.69 PPARG (0.51) ALDH1A1LMNAKMT2A
SCHEMBL27712964 0.67 KMT2A (0.56) NTSR1ALDH1A1LMNAKDM4EHPGD
SCHEMBL12643284 0.67 PTGER4 (0.59) ALDH1A1LMNAPTGER4PTGDRKDM4E
SCHEMBL7733842 0.67 ALDH1A1 (0.69) ALDH1A1LMNAKMT2A
SCHEMBL13996050 0.67 ALDH1A1 (0.69) ALDH1A1LMNAKMT2A
SCHEMBL12585259 0.67 PTGER4 (0.67) PTGER4PTGDR
SCHEMBL2985362 0.67 PTGER4 (0.50) ALDH1A1PTGER4KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258728-A1 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US claimed
EP-1431267-A1 CARBOXYLIC ACID DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-23 EP claimed
US-7786161-B2 Carboxylic acid derivatives and pharmaceutical agent comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-08-31 US disclosed
US-7786161-B2 Carboxylic acid derivatives and pharmaceutical agent comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-08-31 US disclosed
US-7786161-B2 Carboxylic acid derivatives and pharmaceutical agent comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-08-31 US disclosed
US-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2009-12-24 US disclosed
US-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2009-12-24 US disclosed
US-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2009-12-24 US disclosed
US-7491748-B2 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-7491748-B2 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-7491748-B2 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20070167500-A1 Remedy for urinary tract diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
US-20060258728-A1 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1642594-A1 REMEDY FOR URINARY TRACT DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
EP-1431267-A1 CARBOXYLIC ACID DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-23 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 (3 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-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT PTGER2, PTGER4, PTGER1 NTSR1 3135/4885ALDH1A1 849/4885LMNA 4723/4885
US-20070167500-A1 Remedy for urinary tract diseases PTGER3, PTGER1, PTGES3 NTSR1 1057/4885ALDH1A1 648/4885LMNA 3665/4885
US-20060258728-A1 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient PTGER2, PTGER4, PTGER1 NTSR1 3093/4885ALDH1A1 709/4885LMNA 4608/4885

“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.