SCHEMBL5464669

SCHEMBL5464669

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.62
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
AKR1C3 P42330 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
ACKR3 P25106 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
PTPN1 P18031 1/20 0.41

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 0.90 AKR1B1 (0.75) AKR1B1KMT2AMEN1MAPTAKR1C3
SCHEMBL5467797 0.89 AKR1B1 (0.80) AKR1B1KMT2AMEN1MAPTAKR1C3
SCHEMBL5466485 0.88 AKR1B1 (0.64) AKR1B1KMT2AMEN1MAPTAKR1C3
SCHEMBL5483642 0.84 AKR1B1 (0.52) AKR1B1KMT2AMEN1MAPTAKR1C3
SCHEMBL5468356 0.81 AKR1B1 (0.78) AKR1B1KMT2AMEN1MAPTHTT
SCHEMBL5457602 0.81 AKR1B1 (0.75) AKR1B1KMT2AMEN1MAPTACKR3
SCHEMBL5469126 0.80 AKR1B1 (0.61) AKR1B1KMT2AMEN1MAPTACKR3
SCHEMBL5467890 0.80 AKR1B1 (0.63) AKR1B1KMT2AMEN1MAPTHTT
SCHEMBL5457590 0.79 AKR1B1 (0.75) AKR1B1KMT2AMEN1AKR1C3ACKR3
SCHEMBL5474025 0.78 AKR1B1 (0.59) AKR1B1KMT2AMEN1MAPTHTT

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 6 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-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 708/4885KMT2A 2151/4885MEN1 3816/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885KMT2A 2151/4885MEN1 3816/4885

“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.