SCHEMBL977352

SCHEMBL977352

CCCCCCCCc1ccc(NS(=O)(=O)NC2(CC(=O)OC)CCCN(C)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ SPHK1 Q9NYA1 7/20 0.37
▸ THRA P10827 4/20 0.36
▸ THRB P10828 4/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ ACLY P53396 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
SCHEMBL12923335 0.91 S1PR1 (0.41) CA12CA1CA2CA9SPHK1
SCHEMBL978421 0.89 S1PR4 (0.37) CA12CA1CA2CA9SPHK1
SCHEMBL3939660 0.89 CA12 (0.36) CA12CA1CA2CA9SPHK1
Trifluoroacetic Acid SCHEMBL978420 0.87 S1PR1 (0.40) CA12CA1CA2CA9SPHK1
SCHEMBL979710 0.86 DRD2 (0.40) CA12CA1CA2CA9THRA
SCHEMBL980198 0.84 KDM4E (0.36) CA12CA1CA2CA9SPHK1
SCHEMBL979136 0.83 EPHX2 (0.46) CA12CA1CA2CA9SPHK1
SCHEMBL977960 0.82 CA12 (0.37) CA12CA1CA2CA9SPHK1
SCHEMBL979245 0.81 AKT1 (0.41) CA12CA1CA2CA9SPHK1
SCHEMBL978634 0.81 HPGD (0.43) CA12CA1CA2CA9SPHK1

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-8680282-B2 Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2014-03-25 — — US disclosed
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2011-01-20 — — US disclosed
WO-2009015485-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-02-05 — — 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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 CA12 1566/4885CA1 1189/4885CA2 972/4885

“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.

Send feedback