SCHEMBL852030

SCHEMBL852030

N#Cc1ccc(Oc2ccc(C(=O)O)c(Oc3ccc(F)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
HAO1 Q9UJM8 5/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAP4K4 O95819 1/20 0.40
SCN9A Q15858 2/20 0.40
CYP3A4 P08684 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 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
SCHEMBL8509596 0.94 F10 (0.53) F10CYP1A2CYP2C19CYP2C9HAO1
SCHEMBL851729 0.87 F10 (0.46) F10HAO1MEN1KMT2APOLB
SCHEMBL850679 0.87 F10 (0.46) F10HAO1MEN1KMT2APOLB
SCHEMBL8512629 0.84 L3MBTL1 (0.55) F10CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL6576129 0.79 F10 (0.65) F10HAO1MAP4K4EGLN1
SCHEMBL8509642 0.77 F10 (0.58) F10CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL19808926 0.76 GABRP (0.47) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL850593 0.75 F10 (0.52) F10SCN9AEGLN1
SCHEMBL15350262 0.75 L3MBTL1 (0.46) F10CYP2C19CYP2C9MEN1KMT2A
SCHEMBL4456844 0.74 PTGER4 (0.47) CYP1A2CYP2C19CYP2C9HAO1HPGD

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 152/4885CYP1A2 696/4885CYP2C19 325/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F10 152/4885CYP1A2 696/4885CYP2C19 325/4885

“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.