SCHEMBL3681771

SCHEMBL3681771

C[N+](C)(C)C[C@@H](CC(=O)OC(=O)C(F)(F)F)NC(=O)c1cccc(-c2cc[nH]n2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 8/20 0.41
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
ROCK2 O75116 7/20 0.34
ROCK1 Q13464 6/20 0.34

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
Trifluoroacetic Acid SCHEMBL3681763 0.87 PRKD1 (0.42) PRKD1TAS1R3TAS1R1NPSR1
SCHEMBL4787690 0.86 RAF1 (0.36) PRKD1
Trifluoroacetic Acid SCHEMBL3681768 0.85 PRKD1 (0.41) PRKD1TAS1R3TAS1R1NPSR1ROCK2
SCHEMBL13409967 0.84 PRKD1 (0.43) PRKD1TAS1R3TAS1R1
SCHEMBL3679511 0.74 CTSG (0.42) CTSGCTRB1
SCHEMBL3690943 0.70 PPARG (0.49) TAS1R3TAS1R1
SCHEMBL13443949 0.70 HDAC8 (0.49)
SCHEMBL3680889 0.69 ALDH1A1 (0.39) TAS1R3TAS1R1NPSR1
SCHEMBL3684390 0.69 ACACB (0.37)
Hydrochloric Acid SCHEMBL10415632 0.66 CTRB1 (0.51) TAS1R3TAS1R1CTSGCTRB1

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 PRKD1 1975/4885TAS1R3 4074/4885TAS1R1 3458/4885

“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.