SCHEMBL1967720

SCHEMBL1967720

OCCc1cc(F)cc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.42
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
GPR84 Q9NQS5 1/20 0.31
DPP4 P27487 1/20 0.30
FAP Q12884 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL585543 0.87 CA2 (0.41) RIPK1CES2CES1
SCHEMBL29518822 0.81 RIPK1 (0.44) RIPK1CES2CES1GPR84DPP4
SCHEMBL698821 0.81 RIPK1 (0.44) RIPK1CES2CES1GPR84DPP4
SCHEMBL17006161 0.80 ERN1 (0.41) RIPK1CES2CES1
SCHEMBL13692276 0.79 TAAR1 (0.43) RIPK1CES2CES1
SCHEMBL6317338 0.79 HDAC3 (0.31) CES2CES1
SCHEMBL33526163 0.78 GPR84 (0.36) RIPK1GPR84
SCHEMBL28052583 0.77 RIPK1 (0.39) RIPK1CES2CES1GPR84
SCHEMBL10061120 0.77 RIPK1 (0.42) RIPK1CES2CES1GPR84
SCHEMBL17552681 0.77 RIPK1 (0.39) RIPK1CES2CES1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3097101-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-30 EP disclosed
WO-2015112465-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-30 WO disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 RIPK1 2854/4885CES2 4143/4885CES1 790/4885

“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.