SCHEMBL850978

SCHEMBL850978

N#Cc1ccc(Oc2nc(Oc3cccc(OC(F)(F)F)c3)c(C(=O)O)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.43
HAO1 Q9UJM8 4/20 0.41
PLAU P00749 7/20 0.40
PLG P00747 5/20 0.40
PLAT P00750 2/20 0.39
PPARG P37231 1/20 0.39
F2 P00734 1/20 0.39
SCN9A Q15858 1/20 0.39
NTRK1 P04629 1/20 0.39
P2RY1 P47900 1/20 0.38
DHODH Q02127 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 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
SCHEMBL851547 0.88 KDM4E (0.47) F10PLAUPLGPLATSCN9A
SCHEMBL921728 0.77 SCN9A (0.49) SCN9A
SCHEMBL851729 0.76 F10 (0.46) F10HAO1SCN9ANTRK1DHODH
SCHEMBL850679 0.76 F10 (0.46) F10HAO1SCN9ANTRK1DHODH
SCHEMBL24684391 0.70 PTGER4 (0.43) F10PPARGP2RY1DHODHCYP1A2
SCHEMBL8773194 0.70 CHRM5 (0.42) F10SCN9A
SCHEMBL7372993 0.69 TDP1 (0.52) P2RY1DHODHCYP1A2CYP2C19
SCHEMBL6580937 0.69 F2 (0.56) F10HAO1PLAUPLGPLAT
SCHEMBL9138429 0.68 FAAH (0.61) PPARGCYP2C9
SCHEMBL923011 0.68 EPAS1 (0.47) F10SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F10 152/4885HAO1 2312/4885PLAU 141/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F10 152/4885HAO1 2312/4885PLAU 141/4885

“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.