SCHEMBL979832

SCHEMBL979832

CCCCCc1ccc(S(=O)(=O)NC2(CC(=O)OCC)CCN(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ F13A1 P00488 2/20 0.41
▸ TGM2 P21980 2/20 0.41
▸ TGM1 P22735 2/20 0.41
▸ RORC P51449 3/20 0.41
▸ AKT1 P31749 2/20 0.41
▸ IRS1 P35568 2/20 0.41
▸ GAB1 Q13480 2/20 0.41
▸ APP P05067 2/20 0.40
▸ ADAM17 P78536 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37

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
SCHEMBL978999 0.84 SPHK1 (0.43) ALDH1A1L3MBTL1
SCHEMBL979272 0.83 AKT1 (0.46) LMNAALDH1A1AKT1IRS1GAB1
SCHEMBL979271 0.83 AKT1 (0.47) LMNAALDH1A1AKT1IRS1GAB1
SCHEMBL979549 0.83 S1PR1 (0.39) CA1CA2CA7CA9
SCHEMBL7529598 0.82 LMNA (0.48) LMNAALDH1A1F13A1TGM2TGM1
SCHEMBL979858 0.81 AKT1 (0.47) LMNAALDH1A1AKT1IRS1GAB1
SCHEMBL978720 0.80 AKT1 (0.48) LMNAALDH1A1AKT1IRS1GAB1
SCHEMBL34475170 0.79 TMEM97 (0.48) ALDH1A1L3MBTL1CHRM1SLC6A2HRH2
SCHEMBL3941641 0.77 AKT1 (0.42) LMNAALDH1A1AKT1IRS1GAB1
SCHEMBL978076 0.77 AKT1 (0.49) LMNAAKT1IRS1GAB1CA1

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 LMNA 3381/4885ALDH1A1 196/4885F13A1 3781/4885

“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.

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