SCHEMBL3682672

SCHEMBL3682672

CCCCCc1ccc(CCc2ccc(C(=O)N[C@H](CC(=O)OC(=O)C(F)(F)F)C[N+](C)(C)C)o2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
S1PR1 P21453 9/20 0.34
S1PR4 O95977 8/20 0.34
S1PR5 Q9H228 6/20 0.34
S1PR3 Q99500 6/20 0.34
CPT2 P23786 2/20 0.34
CPT1A P50416 2/20 0.34
CPT1B Q92523 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
NPC1 O15118 1/20 0.33
S1PR2 O95136 3/20 0.33
LMNA P02545 1/20 0.33
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32

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
SCHEMBL3680573 0.87 CPT2 (0.46) CPT2CPT1ACPT1B
SCHEMBL3687517 0.85 ACACB (0.35) FAAHS1PR1S1PR4S1PR5S1PR3
SCHEMBL3688863 0.85 NPC1 (0.31) ALDH1A1NPC1
Trifluoroacetic Acid SCHEMBL3682673 0.85 S1PR1 (0.40) FAAHS1PR1S1PR4S1PR5S1PR3
Trifluoroacetic Acid SCHEMBL3682670 0.85 S1PR1 (0.40) FAAHS1PR1S1PR4S1PR5S1PR3
SCHEMBL3683184 0.84 FAAH (0.35) FAAHS1PR1S1PR4S1PR5S1PR3
SCHEMBL13410039 0.84 S1PR1 (0.46) S1PR1S1PR4S1PR3CPT2CPT1A
SCHEMBL3685222 0.79 CPT2 (0.33) CPT2CPT1ACPT1BTAS1R3TAS1R1
SCHEMBL3691243 0.79 FAAH (0.40) FAAHS1PR1S1PR4S1PR5S1PR3
SCHEMBL3681769 0.78 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO claimed
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 FAAH 917/4885S1PR1 400/4885S1PR4 684/4885

“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.