SCHEMBL17034162

SCHEMBL17034162

O=C(O)C1CN(c2cccc(-c3cc(C(F)(F)F)ccc3OCCc3ccccc3)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
CYP19A1 P11511 1/20 0.50
PTGDR2 Q9Y5Y4 4/20 0.49
NOTUM Q6P988 1/20 0.47
S1PR5 Q9H228 8/20 0.47
S1PR1 P21453 7/20 0.47
GRK5 P34947 1/20 0.47
CDK8 P49336 1/20 0.47
PDGFRA P16234 1/20 0.43
PTGER1 P34995 1/20 0.43
SCN9A Q15858 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
PRKX P51817 1/20 0.41
IKBKE Q14164 1/20 0.41
S1PR4 O95977 1/20 0.40

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
SCHEMBL17027210 0.90 S1PR5 (0.53) PTGDR2NOTUMS1PR5S1PR1PDGFRA
SCHEMBL17027029 0.89 PTGDR2 (0.49) PTGDR2NOTUMS1PR5S1PR1PDGFRA
SCHEMBL17034084 0.88 NOTUM (0.48) PTGDR2NOTUMS1PR5S1PR1PTGER1
SCHEMBL17027148 0.88 PTGDR2 (0.53) PTGDR2NOTUMS1PR5S1PR1PDGFRA
SCHEMBL17034088 0.87 NOTUM (0.44) CYP11B1CYP11B2CYP19A1PTGDR2NOTUM
SCHEMBL17034177 0.86 NOTUM (0.51) PTGDR2NOTUMS1PR5S1PR1PTGER1
SCHEMBL17034083 0.86 S1PR5 (0.53) PTGDR2NOTUMS1PR5S1PR1PDGFRA
SCHEMBL17034174 0.84 S1PR5 (0.55) PTGDR2NOTUMS1PR5S1PR1PDGFRA
SCHEMBL18593545 0.84 S1PR5 (0.53) NOTUMS1PR5S1PR1GRK5CDK8
SCHEMBL17034160 0.84 NOTUM (0.48) PTGDR2NOTUMS1PR5S1PR1PDGFRA

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
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US claimed
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 CYP11B1 1118/4885CYP11B2 1211/4885CYP19A1 697/4885

“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.