SCHEMBL14638008

SCHEMBL14638008

COC(=O)C(C)(C)Sc1ccc(C=C(F)c2cc(C)[nH]n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ MAPT P10636 6/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL14638236 1.00 DAO (0.36) DAOHCAR2LMNAGAAKMT2A
SCHEMBL14653581 0.88 DAO (0.41) DAOHCAR2LMNAGAAKMT2A
SCHEMBL15009705 0.88 DAO (0.41) DAOHCAR2LMNAGAAKMT2A
SCHEMBL15009429 0.81 DAO (0.36) DAOHCAR2KMT2AMEN1CTDSP1
SCHEMBL14637152 0.81 DAO (0.36) DAOHCAR2KMT2AMEN1CTDSP1
SCHEMBL14653504 0.75 NPC1 (0.43) DAOHCAR2LMNAGAAKMT2A
SCHEMBL15009567 0.75 NPC1 (0.43) DAOHCAR2LMNAGAAKMT2A
SCHEMBL14637852 0.72 DHODH (0.47) DAOHCAR2KMT2AMEN1MAPT
SCHEMBL14637850 0.72 DHODH (0.47) DAOHCAR2KMT2AMEN1MAPT
SCHEMBL14638178 0.72 POLB (0.39) DAOHCAR2KMT2AMAPTSMN1; SMN2

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 DAO 2055/4885HCAR2 266/4885LMNA 3030/4885

“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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