SCHEMBL16186012

SCHEMBL16186012

Cc1ccc(S(=O)(=O)n2ccc3ccc(C(=O)C(C#N)=CC(C)C)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ CPT1A P50416 3/20 0.43
▸ CPT2 P23786 2/20 0.43
▸ PPARG P37231 4/20 0.42
▸ HTR6 P50406 5/20 0.41
▸ PPARD Q03181 3/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ CPT1B Q92523 2/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ FABP4 P15090 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC8 Q9BY41 2/20 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
SCHEMBL11905795 0.86 CPT1A (0.43) SLC1A3SLC1A2SLC1A1CPT1ACPT2
SCHEMBL11905791 0.86 CPT1A (0.43) SLC1A3SLC1A2SLC1A1CPT1ACPT2
SCHEMBL10004725 0.77 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1CPT1ACPT2
SCHEMBL8652798 0.77 CPT1A (0.63) SLC1A3SLC1A2SLC1A1CPT1ACPT2
SCHEMBL7402844 0.76 CPT1A (0.53) SLC1A3SLC1A2SLC1A1CPT1ACPT2
SCHEMBL9372377 0.74 CPT1A (0.54) SLC1A3SLC1A2SLC1A1CPT1ACPT2
SCHEMBL30955477 0.74 CPT1A (0.54) SLC1A3SLC1A2SLC1A1CPT1ACPT2
SCHEMBL1898211 0.72 HTR6 (0.56) SLC1A3SLC1A2SLC1A1PPARGHTR6
SCHEMBL14722247 0.72 HTR6 (0.48) SLC1A3SLC1A2SLC1A1HTR6RAPGEF4
SCHEMBL17049296 0.70 HTR6 (0.51) SLC1A3SLC1A2SLC1A1PPARGHTR6

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
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — 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-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 SLC1A3 559/4885SLC1A2 1659/4885SLC1A1 648/4885

“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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