SCHEMBL137238

SCHEMBL137238

CSCC[C@@](N)(O)C(=O)[O-].CSCC[C@@](N)(O)C(=O)[O-].[Ca+2]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL28286570 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4080725 0.80 RNPEP (0.34) ALDH1A1
SCHEMBL4080730 0.80 RNPEP (0.34) ALDH1A1
SCHEMBL137240 0.78 RNPEP (0.33) ALDH1A1
SCHEMBL4478265 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8631296 0.68 RNPEP (0.35) ALDH1A1
SCHEMBL31512988 0.68 CA4 (0.41)
SCHEMBL29013093 0.68 RNPEP (0.35) ALDH1A1
SCHEMBL11192504 0.67 NOS1 (0.33) ALDH1A1
SCHEMBL162368 0.67 GGT1 (0.52) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11083685-B2 Methods for treating scars and aging skin ALLERGAN, INC. (US) 2021-08-10 US disclosed
US-10398640-B2 Methods for treating scars and aging skin ALLERGAN, INC. 2019-09-03 US disclosed
EP-2525774-B1 NEW LIPO-PHOSPHATED OR LIPO-SULPHATED COMPOUND, COMPOSITIONS COMPRISING IT AND TOPICAL USES THEREOF SEDERMA SA (FR) 2016-03-30 EP disclosed
US-20160058816-A1 METHODS FOR TREATING SCARS AND AGING SKIN ALLERGAN, INC. 2016-03-03 US disclosed
US-20160058693-A1 METHODS FOR TREATING SCARS AND AGING SKIN ALLERGAN INC (US) 2016-03-03 US disclosed
US-9180157-B2 Methods for treating scars and aging skin ALLERGAN, INC. 2015-11-10 US disclosed
US-9180158-B2 Methods for treating scars and aging skin ALLERGAN, INC. 2015-11-10 US disclosed
US-20130337088-A1 METHODS FOR TREATING SCARS AND AGING SKIN ALLERGAN, INC. 2013-12-19 US disclosed
US-8603498-B2 Lipo-phosphated or lipo-sulphated compound, compositions comprising it and topical uses thereof SEDERMA, S.A.S. (FR) 2013-12-10 US disclosed
US-8591961-B2 Aesthetic treatment of scars and aging skin ALLERGAN, INC. (US) 2013-11-26 US disclosed
US-20130004439-A1 Lipo-Phosphated or Lipo-Sulphated Compound, Compositions Comprising It and Topical Uses Thereof SEDERMA, S.A.S. (FR) 2013-01-03 US disclosed
US-20120058167-A1 METHODS FOR TREATING SCARS AND AGING SKIN ALLERGAN, INC. 2012-03-08 US disclosed
US-20120058076-A1 AESTHETIC TREATMENT OF SCARS AND AGING SKIN ALLERGAN, INC. 2012-03-08 US disclosed
WO-2011086532-A1 NEW LIPO-PHOSPHATED OR LIPO-SULPHATED COMPOUND, COMPOSITIONS COMPRISING IT AND TOPICAL USES THEREOF SEDERMA (FR) 2011-07-21 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 (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-20130004439-A1 Lipo-Phosphated or Lipo-Sulphated Compound, Compositions Comprising It and Topical Uses Thereof LOXL3, CUTA, LOXL4 ALDH1A1 1329/4885

“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.