SCHEMBL5457412

SCHEMBL5457412

CC(C)CCOC(=O)COc1cc(F)ccc1C(=S)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.72
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
AKR1A1 P14550 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
GAA P10253 2/20 0.38
NNMT P40261 1/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
PTPN1 P18031 2/20 0.38

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
SCHEMBL5472435 0.92 AKR1B1 (0.59) AKR1B1ALDH1A1HTTCYP2D6CYP2C9
SCHEMBL5468356 0.89 AKR1B1 (0.78) AKR1B1ALDH1A1HTTPTPN7DUSP3
SCHEMBL5464277 0.88 AKR1B1 (0.71) AKR1B1ALDH1A1HTTPTPN7DUSP3
SCHEMBL14447238 0.87 AKR1B1 (0.70) AKR1B1ALDH1A1HTTCYP2D6CYP2C9
SCHEMBL5465148 0.84 AKR1B1 (1.00) AKR1B1ALDH1A1HTTPTPN7DUSP3
SCHEMBL5467890 0.83 AKR1B1 (0.63) AKR1B1ALDH1A1HTTCYP2D6CYP2C9
SCHEMBL5469126 0.81 AKR1B1 (0.61) AKR1B1ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL5466485 0.80 AKR1B1 (0.64) AKR1B1ALDH1A1HTTGAAMEN1
Hydrochloric Acid SCHEMBL5462326 0.80 AKR1B1 (0.59) AKR1B1ALDH1A1HTTCYP2D6CYP2C9
SCHEMBL5474025 0.79 AKR1B1 (0.59) AKR1B1ALDH1A1HTTCYP2C9MEN1

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-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
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 708/4885ALDH1A1 432/4885HTT 2418/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885ALDH1A1 432/4885HTT 2418/4885

“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.