SCHEMBL3686150

SCHEMBL3686150

CC(=O)Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RECQL P46063 1/20 0.48
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
HIF1A Q16665 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL15907989 0.85 ALDH1A1 (0.48) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL10168511 0.84 ALDH1A1 (0.47) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL14369503 0.84 ALDH1A1 (0.58) ALDH1A1HPGDKMT2AMEN1MAPK1
SCHEMBL109045 0.84 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL7900537 0.84 ALDH1A1 (0.48) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL300884 0.83 CA12 (0.42) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL7327634 0.82 HPGD (0.46) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL3565689 0.82 MAPT (0.42) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL14640220 0.82 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL13498680 0.82 ALDH1A1 (0.46) ALDH1A1HPGDKMT2AMEN1

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-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
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 ALDH1A1 236/4885HPGD 691/4885KMT2A 662/4885

“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.