SCHEMBL7230282

SCHEMBL7230282

O=C(O)[C@H](O)Cc1ccc(F)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.61
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
DPP4 P27487 2/20 0.43
PIN1 Q13526 1/20 0.42
DPP7 Q9UHL4 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
RIPK1 Q13546 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTPRA P18433 1/20 0.39

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
SCHEMBL7711037 1.00 KDM6B (0.61) KDM6BPPARGPPARADPP4PIN1
SCHEMBL5813461 0.85 LDHA (0.51) KDM6BPPARGPPARADPP4PIN1
SCHEMBL20586356 0.84 KDM6B (0.56) KDM6BPPARGPPARAPTPRA
SCHEMBL29551982 0.84 KDM6B (0.56) KDM6BPPARGPPARAPTPRA
SCHEMBL18248036 0.84 KDM6B (0.56) KDM6BPPARGPPARAPTPRA
SCHEMBL7706678 0.84 KDM6B (0.46) KDM6BDPP4PIN1DPP7MAOA
SCHEMBL7707907 0.84 KDM6B (0.46) KDM6BDPP4PIN1DPP7MAOA
SCHEMBL370923 0.84 DPP4 (0.45) KDM6BDPP4PIN1DPP7MAOA
SCHEMBL44052 0.80 SLC7A5 (0.62)
SCHEMBL6005325 0.80 TBXAS1 (0.44) PPARADPP4PIN1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-6514997-B2 Block the activity of picornaviral 3C protease AGOURON PHARMACEUTICALS, INC. 2003-02-04 US disclosed
EP-1252145-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2001-11-29 US disclosed
WO-2001040189-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 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 (1 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-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis RNASE1, SERPINB1, RNASEH1 KDM6B 2760/4885PPARG 2566/4885PPARA 2530/4885

“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.