SCHEMBL5465148

SCHEMBL5465148

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 1.00
AKR1A1 P14550 1/20 0.56
PTPN7 P35236 1/20 0.46
DUSP3 P51452 1/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 1/20 0.43
PTGER2 P43116 1/20 0.43
PYGL P06737 1/20 0.43
PTPN1 P18031 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ACKR3 P25106 1/20 0.42
HTT P42858 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
SCHEMBL5459481 0.90 AKR1B1 (0.82) AKR1B1GAAMAPTMEN1KMT2A
SCHEMBL5468356 0.88 AKR1B1 (0.78) AKR1B1AKR1A1PTPN7DUSP3GAA
SCHEMBL5457602 0.86 AKR1B1 (0.75) AKR1B1AKR1A1PTPN7DUSP3GAA
SCHEMBL5457412 0.84 AKR1B1 (0.72) AKR1B1AKR1A1PTPN7DUSP3GAA
SCHEMBL5462188 0.84 AKR1B1 (0.73) AKR1B1AKR1A1GAAMEN1KMT2A
SCHEMBL5464277 0.84 AKR1B1 (0.71) AKR1B1AKR1A1PTPN7DUSP3GAA
SCHEMBL14447238 0.83 AKR1B1 (0.70) AKR1B1AKR1A1PTPN7DUSP3GAA
SCHEMBL5462218 0.82 AKR1B1 (0.70) AKR1B1PTPN7DUSP3GAAMAPT
SCHEMBL27558978 0.81 AKR1B1 (0.68) AKR1B1PTPN7DUSP3GAAMAPT
SCHEMBL7612890 0.80 AKR1B1 (0.66) AKR1B1AKR1A1PTPN7DUSP3GAA

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-20070161631-A1 Substituted Phenoxyacetic Acids PHARMACIA & UPJOHN COMPANY 2007-07-12 US claimed
US-20060058310-A1 Remedies for vertebral canal stenosis ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-16 US claimed
US-20030036558-A1 Substituted phenoxyacetic acids THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. 2003-02-20 US 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-20060058310-A1 Remedies for vertebral canal stenosis ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-16 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 (4 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-20060058310-A1 Remedies for vertebral canal stenosis ALDOA, AKR1B1, AKR1A1 AKR1B1 2/4885AKR1A1 3/4885PTPN7 2956/4885
US-20070161631-A1 Substituted Phenoxyacetic Acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885AKR1A1 791/4885PTPN7 610/4885
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 173/4885AKR1A1 271/4885PTPN7 1281/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885AKR1A1 791/4885PTPN7 610/4885

“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.