SCHEMBL2637233

SCHEMBL2637233

C[Si](C)(C)c1c(Br)ccc(C(=O)C(F)(F)F)c1F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.37
▸ HTT P42858 1/20 0.33
▸ CES1 P23141 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ SOS1 Q07889 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
SCHEMBL31283629 1.00 ACHE (0.37) ACHEHTTCES1MAPK1IDO1
SCHEMBL29071951 0.89 ACHE (0.30) ACHE
SCHEMBL17711301 0.72 CES1 (0.32) HTTCES1MAPK1IDO1
SCHEMBL17711373 0.71 IDO1 (0.35) HTTCES1MAPK1IDO1
SCHEMBL2782446 0.70 PLA2G2D (0.41) ACHEHTTCES1MAPK1
SCHEMBL8932086 0.70 ACHE (0.46) ACHEHTTCES1MAPK1
SCHEMBL2858470 0.69 ALOX5AP (0.30) —
SCHEMBL8743199 0.67 CES1 (0.61) HTTCES1MAPK1
SCHEMBL17709786 0.67 CES1 (0.36) HTTCES1MAPK1IDO1
SCHEMBL1345954 0.67 CES1 (0.44) CES1MAPK1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734505-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-05-28 — — EP disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US disclosed
EP-2569309-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES Bayer Intellectual Property GmbH (DE) 2013-03-20 — — EP disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 — — WO disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 — — 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-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A ACHE 4675/4885HTT 3493/4885CES1 1470/4885

“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.

Send feedback