SCHEMBL5470809

SCHEMBL5470809

O=C(COc1cc(F)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.66
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACKR3 P25106 1/20 0.46
SGMS2 Q8NHU3 1/20 0.45
AKR1C3 P42330 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
FFAR1 O14842 1/20 0.43
SENP5 Q96HI0 2/20 0.42
SENP2 Q9HC62 2/20 0.42
SENP1 Q9P0U3 2/20 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
SCHEMBL5466485 0.90 AKR1B1 (0.64) AKR1B1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5467890 0.89 AKR1B1 (0.63) AKR1B1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5459481 0.89 AKR1B1 (0.82) AKR1B1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5469126 0.88 AKR1B1 (0.61) AKR1B1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5472435 0.86 AKR1B1 (0.59) AKR1B1RAB9AALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5462326 0.86 AKR1B1 (0.59) AKR1B1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5474025 0.85 AKR1B1 (0.59) AKR1B1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5461802 0.85 AKR1B1 (0.58) AKR1B1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5464270 0.83 AKR1B1 (0.60) AKR1B1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5468350 0.82 AKR1B1 (0.55) AKR1B1RAB9AALDH1A1MEN1KMT2A

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-20070161631-A1 Substituted Phenoxyacetic Acids PHARMACIA & UPJOHN COMPANY 2007-07-12 US claimed
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
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 708/4885RAB9A 2738/4885ALDH1A1 432/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885RAB9A 2738/4885ALDH1A1 432/4885

“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.