SCHEMBL3683758

SCHEMBL3683758

CC(=O)OC(=O)C[C@H](C[N+](C)(C)C)NC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.42
▸ ROCK1 Q13464 5/20 0.42
▸ CASR P41180 1/20 0.40
▸ UTS2R Q9UKP6 1/20 0.40
▸ FPR2 P25090 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA12 O43570 2/20 0.38

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
SCHEMBL3691175 0.89 ALDH1A1 (0.45) PKMTAAR1MEN1ALDH1A1LMNA
SCHEMBL13409936 0.86 ROCK2 (0.47) ROCK2ROCK1CASRUTS2RFPR2
SCHEMBL3681917 0.85 NOX1 (0.50) MEN1ALDH1A1KMT2ASMN1; SMN2CA12
Acetic Acid SCHEMBL3683756 0.84 ROCK2 (0.44) ROCK2ROCK1CASRUTS2RSLC1A3
Acetic Acid SCHEMBL3683761 0.84 ROCK2 (0.44) ROCK2ROCK1CASRUTS2RSLC1A3
SCHEMBL3692257 0.74 EPHX2 (0.40) PKMALDH1A1HTTSMN1; SMN2CA12
SCHEMBL13409935 0.74 ALDH1A1 (0.51) TAAR1MEN1ALDH1A1LMNAMAPT
SCHEMBL3689475 0.74 MAPK1 (0.56) UTS2RPKMMAPK1SMN1; SMN2CA12
SCHEMBL3689478 0.74 MAPK1 (0.56) UTS2RPKMMAPK1SMN1; SMN2CA12
Acetic Acid SCHEMBL3691173 0.73 ALDH1A1 (0.47) TAAR1MEN1ALDH1A1LMNAMAPT

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 ROCK2 3983/4885ROCK1 3482/4885CASR 4821/4885

“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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