SCHEMBL5464604

SCHEMBL5464604

COc1cc(F)c(N2CCOCC2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HPGD P15428 5/20 0.52
KDM4E B2RXH2 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CASP1 P29466 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 3/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
FFAR4 Q5NUL3 1/20 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
SCHEMBL5457398 0.88 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL12316373 0.81 HTT (0.49) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL4361547 0.79 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL13849349 0.79 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL1789465 0.78 SMN1; SMN2 (0.48) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL1931203 0.77 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ECYP3A4HSD17B10
SCHEMBL11165761 0.77 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1TSHRLMNA
SCHEMBL5462201 0.77 HDAC3 (0.47) ALDH1A1KDM4EHSD17B10GAASMN1; SMN2
SCHEMBL4839678 0.75 HIF1A (0.63) ALDH1A1HPGDKDM4ECYP3A4CYP2C19
SCHEMBL1644942 0.75 HIF1A (0.57) ALDH1A1KDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161631-A1 Substituted Phenoxyacetic Acids PHARMACIA & UPJOHN COMPANY 2007-07-12 US disclosed
US-20070161631-A1 Substituted Phenoxyacetic Acids PHARMACIA & UPJOHN COMPANY 2007-07-12 US disclosed
US-20070161631-A1 Substituted Phenoxyacetic Acids PHARMACIA & UPJOHN COMPANY 2007-07-12 US disclosed
US-7189749-B2 Substituted phenoxyacetic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2007-03-13 US disclosed
US-7189749-B2 Substituted phenoxyacetic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2007-03-13 US disclosed
US-7189749-B2 Substituted phenoxyacetic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2007-03-13 US disclosed
US-20050239849-A1 Useful for therapy of chronic complications arising from diabetes, such as neuropathy; may also contain an angiotensin converting enzyme inhibitor THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. (US) 2005-10-27 US disclosed
US-20030036558-A1 Substituted phenoxyacetic acids THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. 2003-02-20 US disclosed
US-6420426-B1 USED TO TREAT COMPLICATIONS FROM DIABETES MELLITUS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2002-07-16 US disclosed
EP-1198451-A2 SUBSTITUTED PHENOXYACETIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2002-04-24 EP disclosed
WO-2001000566-A2 SUBSTITUTED PHENOXYACETIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-01-04 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 (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-20070161631-A1 Substituted Phenoxyacetic Acids SLC5A2, GPR119, SLC5A1 ALDH1A1 432/4885HPGD 830/4885KDM4E 2403/4885
US-20050239849-A1 Useful for therapy of chronic complications arising from diabetes, such as neuropathy; may also contain an angiotensin converting enzyme inhibitor ACE, DNPEP, AGT ALDH1A1 224/4885HPGD 125/4885KDM4E 3221/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 ALDH1A1 432/4885HPGD 830/4885KDM4E 2403/4885

“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.