SCHEMBL14638354

SCHEMBL14638354

Cc1cc(C(F)=Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.40
▸ NR1H3 Q13133 13/20 0.40
▸ DAO P14920 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ MLYCD O95822 2/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL14638353 1.00 NR1H2 (0.40) NR1H2NR1H3DAOHCAR2MLYCD
SCHEMBL14637852 0.88 DHODH (0.47) DAOHCAR2DHODHNPC1
SCHEMBL14637850 0.88 DHODH (0.47) DAOHCAR2DHODHNPC1
SCHEMBL15009044 0.87 DAO (0.36) DAOHCAR2DHODHNPC1
SCHEMBL14653480 0.87 DAO (0.36) DAOHCAR2DHODHNPC1
SCHEMBL14653504 0.85 NPC1 (0.43) DAOHCAR2DHODHNPC1
SCHEMBL15009567 0.85 NPC1 (0.43) DAOHCAR2DHODHNPC1
SCHEMBL14637909 0.81 DAO (0.40) DAOHCAR2NPC1
SCHEMBL14637910 0.81 DAO (0.40) DAOHCAR2NPC1
SCHEMBL14638178 0.79 POLB (0.39) DAOHCAR2DHODH

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 3 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
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 — — 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 NR1H2 1299/4885NR1H3 1145/4885DAO 2055/4885

“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.

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