Sugi Predict

Sugi Predict / Compounds / SCHEMBL9892563

SCHEMBL9892563

SCHEMBL9892563

N=C(N)OCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 6/20 0.34
▸ F10 P00742 5/20 0.34
▸ PRSS1 P07477 2/20 0.34
▸ PRSS2 P07478 2/20 0.34
▸ PRSS3 P35030 2/20 0.34
▸ ST14 Q9Y5Y6 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PLA2G7 Q13093 2/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ OPRM1 P35372 4/20 0.33
▸ OPRD1 P41143 3/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ GAA P10253 1/20 0.30
▸ NR2F2 P24468 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL9889523 0.82 RAB9A (0.38) F2F10PRSS1PRSS2PRSS3
SCHEMBL9103971 0.82 PDE4B (0.41) ALDH1A1RAB9APLA2G7FFAR1KDR
SCHEMBL9892546 0.79 F10 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL9108070 0.78 PLA2G7 (0.47) PLA2G7FFAR1
SCHEMBL9892562 0.77 LIPE (0.50) RAB9A
SCHEMBL9106766 0.76 KDR (0.35) ALDH1A1RAB9APLA2G7FFAR1KDR
SCHEMBL9106775 0.76 SMN1; SMN2 (0.48) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9889519 0.76 ALDH1A1 (0.38) F2F10PRSS1PRSS2PRSS3
SCHEMBL9105909 0.75 IDO1 (0.46) FFAR1
SCHEMBL9892542 0.74 EPHX1 (0.39) F2F10ST14PLA2G7FFAR1

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-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 — — US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 — — US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 — — US disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 — — US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 — — WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 — — US 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 (3 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 F2 944/4885F10 1372/4885PRSS1 553/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B F2 1012/4885F10 3133/4885PRSS1 212/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B F2 1081/4885F10 3238/4885PRSS1 214/4885

“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.