SCHEMBL18580901

SCHEMBL18580901

COc1cccc(COc2cc(N3CC(C(=O)O)C3)cc(C(F)(F)F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.55
S1PR5 Q9H228 8/20 0.55
PDGFRA P16234 2/20 0.55
PRKD3 O94806 1/20 0.52
CDK7 P50613 1/20 0.52
JAK3 P52333 1/20 0.52
TNK2 Q07912 1/20 0.52
PRKX P51817 1/20 0.51
IKBKE Q14164 1/20 0.51
PIM1 P11309 1/20 0.50
MRGPRX4 Q96LA9 3/20 0.47
NR4A2 P43354 2/20 0.45
NOTUM Q6P988 1/20 0.45
MAOB P27338 2/20 0.44
F10 P00742 1/20 0.44
ADAM17 P78536 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRK5 P34947 1/20 0.42

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
SCHEMBL17034159 0.82 S1PR1 (0.50) S1PR1S1PR5PDGFRAPRKD3CDK7
SCHEMBL17048646 0.76 S1PR1 (0.43) S1PR1S1PR5PDGFRAPRKD3CDK7
SCHEMBL3042322 0.75 S1PR5 (0.76) S1PR1S1PR5PDGFRAPRKXPIM1
SCHEMBL31580790 0.73 MAOB (0.51) MRGPRX4NR4A2MAOB
SCHEMBL31395035 0.72 S1PR5 (0.82) S1PR1S1PR5PDGFRAPRKD3CDK7
SCHEMBL3037632 0.71 S1PR5 (1.00) S1PR1S1PR5PDGFRAPRKD3CDK7
SCHEMBL17048680 0.70 SIGMAR1 (0.45) MRGPRX4NR4A2MAOB
SCHEMBL17027210 0.69 S1PR5 (0.53) S1PR1S1PR5PDGFRAPRKD3CDK7
SCHEMBL3042498 0.69 S1PR5 (1.00) S1PR1S1PR5PDGFRAPRKD3CDK7
SCHEMBL17034174 0.68 S1PR5 (0.55) S1PR1S1PR5PDGFRAPRKD3CDK7

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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 S1PR1 1142/4885S1PR5 2041/4885PDGFRA 151/4885

“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.