SCHEMBL7059967

SCHEMBL7059967

Cc1ccc(OCC(=O)O)c(C(=O)NCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.69
AKR1C3 P42330 2/20 0.53
ACKR3 P25106 1/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
PTPN1 P18031 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.45
CRHBP P24387 1/20 0.45
HTT P42858 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL5464283 0.85 AKR1B1 (0.75) AKR1B1AKR1C3ACKR3MEN1KMT2A
SCHEMBL5470857 0.84 AKR1B1 (0.66) AKR1B1AKR1C3ACKR3MEN1KMT2A
SCHEMBL5459481 0.82 AKR1B1 (0.82) AKR1B1ACKR3MEN1KMT2AMAPT
SCHEMBL7064862 0.82 AKR1B1 (1.00) AKR1B1AKR1C3ACKR3MEN1KMT2A
SCHEMBL5457590 0.81 AKR1B1 (0.75) AKR1B1AKR1C3ACKR3MEN1KMT2A
SCHEMBL5472304 0.80 AKR1B1 (0.73) AKR1B1AKR1C3ACKR3MEN1KMT2A
SCHEMBL5462424 0.79 AKR1B1 (1.00) AKR1B1AKR1C3ACKR3MEN1KMT2A
SCHEMBL7693372 0.77 AKR1C3 (0.64) AKR1B1AKR1C3MEN1KMT2AMAPT
SCHEMBL5483642 0.76 AKR1B1 (0.52) AKR1B1AKR1C3MEN1KMT2AMAPT
SCHEMBL5457602 0.76 AKR1B1 (0.75) AKR1B1ACKR3MEN1KMT2AMAPT

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 10 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

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 708/4885AKR1C3 401/4885ACKR3 3036/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885AKR1C3 401/4885ACKR3 3036/4885

“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.