SCHEMBL10062604

SCHEMBL10062604

CNC(=O)CC(C)CC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34
MMP3 P08254 3/20 0.34
LMNA P02545 2/20 0.32
MCL1 Q07820 1/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
PIK3CD O00329 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL241919 0.83 MMP2 (0.46) MMP1MMP2MMP3MMP9MMP8
SCHEMBL2785652 0.81 MCL1 (0.40) ATMMMP2LMNAMCL1MMP9
SCHEMBL12057490 0.81 MAPT (0.45) MMP1MMP2MMP3PIK3CDMAPT
SCHEMBL12072365 0.79 MCL1 (0.36) MMP1MMP2MMP3MCL1MMP9
SCHEMBL28343319 0.78 CYP2D6 (0.43) MMP1LMNAMMP8
SCHEMBL24433805 0.77 ATM (0.34) ATMLMNAMCL1
SCHEMBL26107407 0.77 CA2 (0.35) MMP1MMP2MMP3
SCHEMBL10420638 0.76 SMN1; SMN2 (0.39) MAPT
SCHEMBL17584788 0.76 CA2 (0.46) MMP1MMP2MMP3
SCHEMBL13785286 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019136025-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. (US) 2019-07-11 WO disclosed
US-9068137-B2 Water-mixed metal working fluids containing ether pyrrolidone carboxylic acids CLARIANT FINANCE (BVI) LIMITED (VG) 2015-06-30 US disclosed
US-8759264-B2 Water-based hydraulic fluids comprising dithio-di(aryl carbolic acids) CLARIENT FINANCE (BVI) LIMITED (VG) 2014-06-24 US disclosed
US-20120088705-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 US disclosed
EP-1966191-B1 SUBSTITUTED PYRAZINONE DERIVATIVES AS ALPHA2C-ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-03-17 EP disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 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-20120088705-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME F12, ADH1A, ADH1C ATM 3054/4885MMP1 2680/4885MMP2 3513/4885
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ADRA2C, ADRB2, ADRA2A ATM 1671/4885MMP1 4714/4885MMP2 4222/4885

“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.