SCHEMBL3689174

SCHEMBL3689174

CCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)O)CN(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 4/20 0.50
MEN1 O00255 3/20 0.50
MAPK1 P28482 2/20 0.50
XBP1 P17861 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALOX12 P18054 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL13409983 0.87 PKM (0.54) PKMKMT2AMAPTLMNAMEN1
Trifluoroacetic Acid SCHEMBL4749008 0.82 PKM (0.48) PKMKMT2AMAPTLMNAMEN1
Trifluoroacetic Acid SCHEMBL3678097 0.82 PKM (0.48) PKMKMT2AMAPTLMNAMEN1
SCHEMBL3677888 0.80 S1PR2 (0.48) LMNAALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL3688535 0.79 NPSR1 (0.47) LMNAALDH1A1HTTNPSR1SMN1; SMN2
Iodide SCHEMBL3682168 0.75 PKM (0.47) PKMKMT2AMAPTLMNAMEN1
SCHEMBL4869315 0.75 SLC1A3 (0.48) TDP1ALDH1A1L3MBTL1
SCHEMBL4869319 0.75 SLC1A3 (0.48) TDP1ALDH1A1L3MBTL1
SCHEMBL12411578 0.74 RAB9A (0.69) PKMKMT2AMAPTLMNAMAPK1
SCHEMBL3691394 0.74 PKM (0.65) PKMKMT2AMAPTLMNAMEN1

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 PKM 1133/4885KMT2A 662/4885MAPT 581/4885

“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.