SCHEMBL977573

SCHEMBL977573

CCCCCc1ccc(S(=O)(=O)NC2(CC(=O)OC(=O)C(F)(F)F)CCN(C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MMP13 P45452 3/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ NMT1 P30419 6/20 0.38
▸ FAAH O00519 1/20 0.37
▸ AKT1 P31749 3/20 0.36
▸ IRS1 P35568 3/20 0.36
▸ GAB1 Q13480 3/20 0.36
▸ LMNA P02545 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
SCHEMBL979297 0.95 DRD2 (0.37) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL977637 0.91 FAAH (0.38) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL978388 0.90 DRD2 (0.36) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL979818 0.87 FAAH (0.37) FAAHAKT1IRS1GAB1LMNA
SCHEMBL981689 0.87 FAAH (0.38) DRD2DRD3HTR2AHTR2CHTR6
Trifluoroacetic Acid SCHEMBL977572 0.86 DRD2 (0.44) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL981069 0.86 FAAH (0.39) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL979858 0.86 AKT1 (0.47) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL1081760 0.85 FAAH (0.38) FAAHAKT1IRS1GAB1LMNA
SCHEMBL15590092 0.84 FAAH (0.36) FAAHAKT1IRS1GAB1LMNA

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 2 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

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 DRD2 4646/4885DRD3 4626/4885HTR2A 4597/4885

“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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