SCHEMBL3095572

SCHEMBL3095572

CC1(C)OB(c2ccc(-c3cnn(C(=O)O)c3)cc2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.53
LPL P06858 8/20 0.53
P4HB P07237 1/20 0.40
FFAR1 O14842 1/20 0.40
F11 P03951 3/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL3083127 0.85 LIPG (0.45) LIPGLPLP4HBFFAR1F11
SCHEMBL3085374 0.83 ROCK2 (0.49) LIPGLPLFFAR1DGAT1
SCHEMBL680013 0.83 FFAR1 (0.52) LIPGLPLP4HBFFAR1F11
SCHEMBL15299291 0.79 LIPG (0.56) LIPGLPLFFAR1CA1CA2
SCHEMBL22448097 0.78 FFAR1 (0.46) LIPGLPLP4HBFFAR1F11
SCHEMBL15661307 0.78 LIPG (0.51) LIPGLPLFFAR1F11DGAT1
SCHEMBL19656294 0.75 FFAR1 (0.43) LIPGLPLFFAR1KEAP1NFE2L2
SCHEMBL19656319 0.75 CCNC (0.52) LIPGLPLFFAR1
SCHEMBL15662644 0.75 LIPG (0.51) LIPGLPLFFAR1CA1CA2
SCHEMBL28712249 0.75 F2 (0.45) F2KDR

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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD LIPG 1730/4885LPL 1876/4885P4HB 2125/4885

“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.