SCHEMBL979643

SCHEMBL979643

O=C(ON1C(=O)CCC1=O)c1ccc(CCc2ccccc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.37
TMPRSS15 P98073 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 1/20 0.36
DAO P14920 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL3685840 0.85 ALOX5 (0.43) MGLLALDH1A1NPSR1PKMSMN1; SMN2
SCHEMBL3689149 0.84 LMNA (0.41) ALDH1A1PKMSMN1; SMN2MAPTKMT2A
SCHEMBL26742181 0.80 KMT2A (0.38) MGLLALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL3674345 0.77 ALDH1A1 (0.50) ALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL3688463 0.74 HTT (0.61) MGLLALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL3676358 0.74 MAPT (0.60) ALDH1A1PKMSMN1; SMN2MAPTKMT2A
SCHEMBL10041303 0.73 LMNA (0.47) MGLLALDH1A1PKMSMN1; SMN2KMT2A
SCHEMBL24401235 0.73 TDP1 (0.60) ALDH1A1FFAR1MAPTKMT2AHTT
SCHEMBL436079 0.73 TDP1 (0.54) MGLLALDH1A1PKMFFAR1MAPT
SCHEMBL3681633 0.73 KMT2A (0.45) ALDH1A1NPSR1PKMMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680282-B2 Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2014-03-25 US disclosed
US-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2011-01-20 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 US disclosed
WO-2009015485-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-02-05 WO 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 (2 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 PRSS1 1020/4885PRSS2 1443/4885PRSS3 1743/4885
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 PRSS1 992/4885PRSS2 1850/4885PRSS3 2122/4885

“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.