SCHEMBL11905795

SCHEMBL11905795

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPT1A P50416 3/20 0.43
▸ CPT2 P23786 2/20 0.43
▸ HTR6 P50406 5/20 0.42
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ CPT1B Q92523 2/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ PPARG P37231 2/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 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
SCHEMBL11905791 1.00 CPT1A (0.43) CPT1ACPT2HTR6SLC1A3SLC1A2
SCHEMBL16186012 0.86 SLC1A3 (0.46) CPT1ACPT2HTR6SLC1A3SLC1A2
SCHEMBL10003402 0.79 RAPGEF4 (0.42) HPGDRAPGEF4NPSR1RECQLMEN1
SCHEMBL10003399 0.79 RAPGEF4 (0.42) HPGDRAPGEF4NPSR1RECQLMEN1
SCHEMBL10004725 0.77 SLC1A3 (0.48) CPT1ACPT2HTR6SLC1A3SLC1A2
SCHEMBL8652798 0.77 CPT1A (0.63) CPT1ACPT2HTR6SLC1A3SLC1A2
SCHEMBL7402844 0.76 CPT1A (0.53) CPT1ACPT2HTR6SLC1A3SLC1A2
SCHEMBL16188508 0.76 ALOX5 (0.46) HPGDPPARGNPSR1PPARDMAPT
SCHEMBL10003553 0.76 ALOX5 (0.46) HPGDPPARGNPSR1PPARDMAPT
SCHEMBL10003556 0.76 ALOX5 (0.46) HPGDPPARGNPSR1PPARDMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP 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-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — 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 (2 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 CPT1A 4700/4885CPT2 4814/4885HTR6 2507/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 CPT1A 3058/4885CPT2 3853/4885HTR6 1210/4885

“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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