SCHEMBL757056

SCHEMBL757056

CCC(C)N.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
GBA1 P04062 1/20 0.53
CYP2D6 P10635 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 6/20 0.45
CA2 P00918 4/20 0.45
CA1 P00915 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
TSHR P16473 1/20 0.45
NT5E P21589 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Isopropylamine SCHEMBL2350740 0.88 CYP2D6 (0.53) GBA1CYP2D6MAPK1ALDH1A1CA2
SCHEMBL6517716 0.88 CA2 (0.47) GBA1CYP2D6MAPK1ALDH1A1CA2
SCHEMBL29024359 0.87 ALDH1A1 (0.46) GBA1CYP2D6MAPK1ALDH1A1CA2
Butanol SCHEMBL7695797 0.87 ALDH1A1 (0.46) GBA1CYP2D6MAPK1ALDH1A1CA2
Butanol SCHEMBL7695800 0.87 ALDH1A1 (0.46) GBA1CYP2D6MAPK1ALDH1A1CA2
SCHEMBL1274859 0.86 CYP2D6 (0.51) GBA1CYP2D6MAPK1ALDH1A1CA2
SCHEMBL6959918 0.85 ALDH1A1 (0.45) GBA1CYP2D6MAPK1ALDH1A1CA2
SCHEMBL8178505 0.85 ALDH1A1 (0.47) CYP2D6MAPK1ALDH1A1CA2CA1
SCHEMBL29024318 0.85 ALDH1A1 (0.47) CYP2D6MAPK1ALDH1A1CA2CA1
Isopropylamine SCHEMBL3156276 0.85 CYP2D6 (0.50) GBA1CYP2D6MAPK1ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429535-A2 COMPOSITIONS AND METHODS FOR TREATING BURNS Mindcake, LLC (US) 2012-03-21 EP disclosed
WO-2010123759-A2 COMPOSITIONS AND METHODS FOR TREATING BURNS HICKS TERRY LEE (US) 2010-10-28 WO disclosed
US-20100266709-A1 Compositions and Methods for Treating Burns MINDCAKE LLC 2010-10-21 US disclosed
US-7604797-B2 Administering to a burn an anticytokine or antiinflammatory agent and a pharmaceutically excipient; administering to a mammal having a burn injury:sodium monofluorophosphate and a dihydrofolate reductase inhibitor of aminopterin, methotrexate, pyramethamine, trimethoprim or derivatives BIOMECHANISMS INC. (US) 2009-10-20 US disclosed
US-20080279820-A1 Compositions and Methods for Treating Burns MINDCAKE LLC 2008-11-13 US disclosed
EP-1667648-A2 COMPOSITIONS AND METHODS FOR TREATING BURNS Kohi Corporation (US) 2006-06-14 EP disclosed
US-20050281820-A1 Compositions and methods for treating burns MINDCAKE LLC 2005-12-22 US disclosed
WO-2005032470-A2 COMPOSITIONS AND METHODS FOR TREATING BURNS KOHI CORPORATION (US) 2005-04-14 WO 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 (3 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-20080279820-A1 Compositions and Methods for Treating Burns TNF, CD68, MMP8 GBA1 731/4885CYP2D6 3185/4885MAPK1 2901/4885
US-20050281820-A1 Compositions and methods for treating burns TNF, CD68, MMP8 GBA1 754/4885CYP2D6 3229/4885MAPK1 3010/4885
US-20100266709-A1 Compositions and Methods for Treating Burns TNF, CD68, MMP8 GBA1 755/4885CYP2D6 3316/4885MAPK1 2844/4885

“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.