SCHEMBL22624005

SCHEMBL22624005

CCCCCCC(C)(CCCC)C(C)(C)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
EPHX1 P07099 1/20 0.38
FAAH O00519 7/20 0.37
CES1 P23141 5/20 0.37
GGPS1 O95749 3/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FDPS P14324 5/20 0.35

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
SCHEMBL18852725 0.97 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL25981948 0.82 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL20047649 0.82 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL24926430 0.82 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL18465425 0.81 CES2 (0.41) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL21536059 0.80 CES2 (0.43) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL21217366 0.78 CES2 (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23716467 0.78 CES2 (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL24761094 0.76 LPAR1 (0.54) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23034428 0.76 LPAR1 (0.54) CES2LPAR1LPAR3TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 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 (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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 CES2 4810/4885LPAR1 1490/4885LPAR3 2341/4885

“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.