SCHEMBL7059962

SCHEMBL7059962

O=C(O)COc1cc(Cl)ccc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 10/20 0.67
P2RX1 P51575 1/20 0.63
TMPRSS4 Q9NRS4 1/20 0.63
AKR1B10 O60218 1/20 0.62
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.48
TACR1 P25103 1/20 0.47
MLYCD O95822 1/20 0.46
AKR1C3 P42330 1/20 0.46
MAPT P10636 1/20 0.44
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44

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
SCHEMBL7066268 0.94 AKR1B1 (0.62) AKR1B1P2RX1TMPRSS4AKR1B10LMNA
SCHEMBL7063092 0.90 AKR1B1 (0.67) AKR1B1AKR1B10LMNAHPGDPTGDR2
SCHEMBL14447219 0.85 AKR1B1 (0.71) AKR1B1AKR1B10LMNAPTGDR2AKR1C3
SCHEMBL7064934 0.85 AKR1B1 (0.86) AKR1B1AKR1B10HPGDAKR1C3MAPT
SCHEMBL5470955 0.83 AKR1B1 (0.80) AKR1B1AKR1B10LMNAHPGDPTGDR2
SCHEMBL7063237 0.83 AKR1B1 (0.72) AKR1B1AKR1B10HPGDAKR1C3
SCHEMBL7611075 0.83 P2RX1 (0.64) AKR1B1P2RX1TMPRSS4LMNAHPGD
SCHEMBL7064945 0.81 AKR1B1 (0.69) AKR1B1AKR1B10LMNAAKR1C3MAPT
SCHEMBL7065043 0.81 AKR1B1 (0.75) AKR1B1AKR1B10LMNAHPGDAKR1C3
SCHEMBL7059964 0.81 AKR1B1 (1.00) AKR1B1AKR1B10HPGDAKR1C3MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030036558-A1 Substituted phenoxyacetic acids THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. 2003-02-20 US claimed
US-6420426-B1 USED TO TREAT COMPLICATIONS FROM DIABETES MELLITUS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2002-07-16 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-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 708/4885P2RX1 1667/4885TMPRSS4 3637/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 AKR1B1 708/4885P2RX1 1667/4885TMPRSS4 3637/4885

“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.