SCHEMBL3692257

SCHEMBL3692257

CC(=O)OC(=O)C[C@H](C[N+](C)(C)C)NC(=O)Nc1ccc(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.40
▸ PKM P14618 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ POLB P06746 3/20 0.36
▸ ALPL P05186 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL13409934 0.85 EPHX2 (0.44) EPHX2PKMCA12CA1CA2
Acetic Acid SCHEMBL3692260 0.83 EPHX2 (0.41) EPHX2PKMCA12CA1CA2
Acetic Acid SCHEMBL3692251 0.83 EPHX2 (0.41) EPHX2PKMCA12CA1CA2
SCHEMBL4747686 0.80 EPHX2 (0.48) EPHX2PKMCA12CA1CA2
SCHEMBL3683758 0.74 ROCK2 (0.42) PKMCA12CA1CA2CA9
SCHEMBL3691175 0.72 ALDH1A1 (0.45) EPHX2PKMNPC1ALDH1A1HTT
SCHEMBL14822897 0.71 PKM (0.56) EPHX2PKMCA12CA1CA2
SCHEMBL3681917 0.70 NOX1 (0.50) CA12CA1CA2CA9NPC1
SCHEMBL24974089 0.64 EPHX2 (0.57) EPHX2CA12CA1CA2CA9
SCHEMBL2564600 0.64 ALDH1A1 (0.56) EPHX2PKMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 — — US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 — — 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 EPHX2 4091/4885PKM 1133/4885CA12 1697/4885

“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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