SCHEMBL412452

SCHEMBL412452

CC1(C)[C@@H]2CCC1(CS(=O)(=O)O)C(=O)C2

nearest known ligand 0.68

Known targets — ChEMBL curated mechanism

CHRNA3CHRNB4PARP1PARP2PARP3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
F2 P00734 2/20 0.66
PRSS1 P07477 2/20 0.66
PRSS2 P07478 2/20 0.66
PRSS3 P35030 2/20 0.66
ALDH1A1 P00352 2/20 0.63
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
MEN1 O00255 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA5A P35218 5/20 0.53
CA5B Q9Y2D0 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL28550247 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL26058 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL30481552 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL106811 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL60288 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL7423952 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL585645 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL17024352 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL17419427 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL30233530 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558954-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE INKE, S.A. (ES) 2019-10-30 EP disclosed
WO-2018114887-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE LABORATORIOS LESVI, S.L. (ES) 2018-06-28 WO disclosed
EP-3168207-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2017-05-17 EP disclosed
EP-2579098-B1 Method of forming patterns FUJIFILM CORP (JP) 2017-04-05 EP disclosed
EP-1903394-B1 Resist composition, resin for use in the resist composition, and pattern-forming method using the resist composition FUJIFILM CORP (JP) 2015-04-29 EP disclosed
EP-2413195-B1 Pattern forming method FUJIFILM CORP (JP) 2013-08-28 EP disclosed
EP-2579098-A1 Method of forming patterns Fujifilm Corporation (JP) 2013-04-10 EP disclosed
US-20120065226-A1 SALTS OF TIOTROPIUM WITH 10-CAMPHORSULFONIC ACID ADAMED SP Z O.O. (PL) 2012-03-15 US disclosed
EP-2417101-A1 INDANE DERIVATIVES MSD Oss B.V. (NL) 2012-02-15 EP disclosed
EP-2297110-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. Organon (NL) 2011-03-23 EP disclosed
WO-2009147167-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2009-12-10 WO disclosed
EP-2034361-A2 Photosensitive composition, compound for use in the photosensitive composition and pattern forming method using the photosensitive composition Fujifilm Corporation (JP) 2009-03-11 EP disclosed
EP-2031445-A2 Chemical amplification resist composition and pattern-forming method using the same FUJIFILM Corporation (JP) 2009-03-04 EP disclosed
EP-2020616-A2 Resist composition for electron beam, x-ray, or euv, and pattern-forming method using the same FUJIFILM Corporation (JP) 2009-02-04 EP disclosed
EP-1767993-B1 Positive photosensitive composition and pattern forming method using the same FUJIFILM CORP (JP) 2008-12-24 EP disclosed
EP-1975713-A2 Positive resist composition and pattern forming method using the same FUJIFILM Corporation (JP) 2008-10-01 EP disclosed
US-7429679-B2 Sulphonic acid salt of sibutramine CJ CORPORATION (KR) 2008-09-30 US disclosed
EP-1906247-A1 Resist composition and pattern forming method using the same FUJIFILM Corporation (JP) 2008-04-02 EP disclosed
US-20070191481-A1 Sulphonic acid salt of sibutramine CJ CORPORATION (KR) 2007-08-16 US disclosed
CN-1867330-A N-substituted azacycles FMC CORP (US) 2006-11-22 CN 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-20070191481-A1 Sulphonic acid salt of sibutramine GPR119, FABP6, HTR6 KMT2A 2358/4885F2 4773/4885PRSS1 185/4885
US-20120065226-A1 SALTS OF TIOTROPIUM WITH 10-CAMPHORSULFONIC ACID PDE10A, PDE6A, PDE6H KMT2A 4564/4885F2 4236/4885PRSS1 435/4885

“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.