SCHEMBL3777883

SCHEMBL3777883

COC(=O)CC(=O)N=C(Nc1cccc(C(F)(F)F)c1F)SC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.45
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ RIPK1 Q13546 1/20 0.36
▸ LCK P06239 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ KDM4E B2RXH2 2/20 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
SCHEMBL3777881 0.73 EPHX2 (0.39) EPHX2CA12CA1CA2CA9
SCHEMBL3410830 0.73 ALDH1A1 (0.56) EPHX2GAAALDH1A1HPGDSMN1; SMN2
SCHEMBL8032116 0.73 CTSS (0.34) EPHX2CA12CA1CA2CA9
SCHEMBL12144664 0.70 EPHX2 (0.57) EPHX2CA12CA1CA2CA9
SCHEMBL1847415 0.70 EPHX2 (0.58) EPHX2CA12CA1CA2CA9
SCHEMBL21500261 0.68 EPHX2 (0.46) EPHX2CA12CA1CA2CA9
SCHEMBL440957 0.67 LMNA (0.59) EPHX2CA12CA1CA2CA9
SCHEMBL20560615 0.67 EPHX2 (0.56) EPHX2CA12CA1CA2CA9
SCHEMBL2755849 0.67 CA12 (0.57) EPHX2CA12CA1CA2CA9
SCHEMBL30499689 0.67 CA12 (0.57) EPHX2CA12CA1CA2CA9

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
US-8778974-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 — — US disclosed
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 — — EP disclosed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — 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-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNE EPHX2 3348/4885CA12 4616/4885CA1 3980/4885

“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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