SCHEMBL7064945

SCHEMBL7064945

COc1cc(CNC(=O)c2ccc(Cl)cc2OCC(=O)O)cc(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 9/20 0.69
AKR1B10 O60218 1/20 0.64
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EGLN1 Q9GZT9 1/20 0.49
AKR1C3 P42330 1/20 0.48
ANO1 Q5XXA6 1/20 0.48
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7063273 0.92 AKR1B1 (0.77) AKR1B1AKR1B10LMNATP53MAPT
SCHEMBL7064934 0.86 AKR1B1 (0.86) AKR1B1AKR1B10MAPTHTTAKR1C3
SCHEMBL5470955 0.84 AKR1B1 (0.80) AKR1B1AKR1B10NPC1LMNATP53
SCHEMBL14447219 0.84 AKR1B1 (0.71) AKR1B1AKR1B10LMNAMAPTAKR1C3
SCHEMBL7059964 0.81 AKR1B1 (1.00) AKR1B1AKR1B10MAPTHTTAKR1C3
SCHEMBL7065043 0.81 AKR1B1 (0.75) AKR1B1AKR1B10NPC1LMNATP53
SCHEMBL7059962 0.81 AKR1B1 (0.67) AKR1B1AKR1B10LMNAMAPTAKR1C3
SCHEMBL7063237 0.80 AKR1B1 (0.72) AKR1B1AKR1B10HTTEGLN1AKR1C3
SCHEMBL7066939 0.79 AKR1B1 (0.71) AKR1B1AKR1B10NPC1LMNATP53
SCHEMBL13812914 0.78 P2RX1 (0.66) NPC1LMNATP53MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030036558-A1 Substituted phenoxyacetic acids THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. 2003-02-20 US claimed
JP-2003503381-A 2003-01-28 JP claimed
US-6420426-B1 USED TO TREAT COMPLICATIONS FROM DIABETES MELLITUS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2002-07-16 US claimed
EP-1198451-A2 SUBSTITUTED PHENOXYACETIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2002-04-24 EP claimed
WO-2001000566-A2 SUBSTITUTED PHENOXYACETIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-01-04 WO claimed
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-20030036558-A1 Substituted phenoxyacetic acids THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. 2003-02-20 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 (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-20070161631-A1 Substituted Phenoxyacetic Acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885AKR1B10 1623/4885NPC1 2377/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885AKR1B10 1623/4885NPC1 2377/4885

“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.