SCHEMBL5468356

SCHEMBL5468356

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.78
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45
AKR1A1 P14550 1/20 0.43
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 3/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.40
PTPN1 P18031 2/20 0.40
S1PR4 O95977 1/20 0.40
LMNA P02545 1/20 0.40
ITGA4 P13612 1/20 0.40
HPGD P15428 1/20 0.40
S1PR1 P21453 1/20 0.40

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 0.91 AKR1B1 (0.64) AKR1B1NPC1KDM4EGAAKMT2A
SCHEMBL5464277 0.90 AKR1B1 (0.71) AKR1B1PTPN7DUSP3AKR1A1GAA
SCHEMBL14447238 0.89 AKR1B1 (0.70) AKR1B1PTPN7DUSP3AKR1A1GAA
SCHEMBL5457412 0.89 AKR1B1 (0.72) AKR1B1PTPN7DUSP3AKR1A1NPC1
SCHEMBL5465148 0.88 AKR1B1 (1.00) AKR1B1PTPN7DUSP3AKR1A1GAA
SCHEMBL5469126 0.83 AKR1B1 (0.61) AKR1B1GAAKMT2AMEN1MAPT
SCHEMBL5467890 0.83 AKR1B1 (0.63) AKR1B1GAAKMT2AMEN1MAPT
SCHEMBL5470809 0.81 AKR1B1 (0.66) AKR1B1GAAKMT2AMEN1MAPT
SCHEMBL5464669 0.81 AKR1B1 (0.62) AKR1B1KMT2AMEN1MAPTALDH1A1
SCHEMBL5474025 0.81 AKR1B1 (0.59) AKR1B1KMT2AMEN1MAPTALDH1A1

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 16 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-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-20050239849-A1 Useful for therapy of chronic complications arising from diabetes, such as neuropathy; may also contain an angiotensin converting enzyme inhibitor THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. (US) 2005-10-27 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 (3 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 708/4885PTPN7 610/4885DUSP3 1404/4885
US-20050239849-A1 Useful for therapy of chronic complications arising from diabetes, such as neuropathy; may also contain an angiotensin converting enzyme inhibitor ACE, DNPEP, AGT AKR1B1 173/4885PTPN7 1281/4885DUSP3 1694/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885PTPN7 610/4885DUSP3 1404/4885

“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.