SCHEMBL5457590

SCHEMBL5457590

O=C(O)COc1cc(F)c(Br)cc1C(=O)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.75
ACKR3 P25106 1/20 0.46
ALOX5 P09917 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
AKR1C3 P42330 1/20 0.43
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 1/20 0.42
PTPN1 P18031 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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 0.89 AKR1B1 (0.75) AKR1B1ACKR3MEN1KMT2AALDH1A1
SCHEMBL5472304 0.87 AKR1B1 (0.73) AKR1B1ACKR3MEN1KMT2AALDH1A1
SCHEMBL5462424 0.86 AKR1B1 (1.00) AKR1B1ACKR3ALOX5MEN1KMT2A
SCHEMBL5459481 0.85 AKR1B1 (0.82) AKR1B1ACKR3MEN1KMT2AALDH1A1
SCHEMBL5466057 0.82 AKR1B1 (0.66) AKR1B1KMT2AALDH1A1RAB9A
SCHEMBL7064862 0.81 AKR1B1 (1.00) AKR1B1ACKR3MEN1KMT2AALDH1A1
SCHEMBL7059967 0.81 AKR1B1 (0.69) AKR1B1ACKR3MEN1KMT2AALDH1A1
SCHEMBL5470857 0.81 AKR1B1 (0.66) AKR1B1ACKR3MEN1KMT2AALDH1A1
SCHEMBL5457602 0.79 AKR1B1 (0.75) AKR1B1ACKR3MEN1KMT2AALDH1A1
SCHEMBL5464669 0.79 AKR1B1 (0.62) AKR1B1ACKR3MEN1KMT2AALDH1A1

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-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-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-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 (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 708/4885ACKR3 3036/4885ALOX5 448/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885ACKR3 3036/4885ALOX5 448/4885

“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.