SCHEMBL1177415

SCHEMBL1177415

Cc1ccc(COC(=O)CCC(=O)CN)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.54

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 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.45
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL1177430 0.94 LMNA (0.62) ALDH1A1GAALMNACYP1A2CYP2C9
SCHEMBL1177508 0.92 ALDH1A1 (0.51) ALDH1A1GAALMNACYP1A2CYP2C9
SCHEMBL1177288 0.91 ALDH1A1 (0.51) ALDH1A1GAALMNACYP1A2CYP2C9
SCHEMBL3398540 0.89 MAPT (0.53) ALDH1A1GAALMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL1177366 0.88 MAPT (0.52) ALDH1A1GAALMNAKMT2AMAPT
SCHEMBL1177416 0.84 LMNA (0.48) ALDH1A1GAALMNACYP1A2CYP2C9
SCHEMBL1177682 0.84 LMNA (0.49) ALDH1A1LMNAKMT2AMAPTCA1
Methyl Aminolevulinate SCHEMBL1177327 0.84 LMNA (0.56) ALDH1A1LMNACYP1A2CYP2C9KMT2A
SCHEMBL717926 0.83 LMNA (0.68) ALDH1A1GAALMNACYP1A2CYP2C9
SCHEMBL18281078 0.83 LMNA (0.68) ALDH1A1GAALMNACYP1A2CYP2C9

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
US-8692014-B2 Acid addition salts of 5-aminolevulinic acid or its derivatives PHOTOCURE ASA (NO) 2014-04-08 US disclosed
US-20110125012-A1 ACID ADDITION SALTS OF 5-AMINOLEVULINIC ACID OR ITS DERIVATIVES BRAENDEN JON ERIK 2011-05-26 US disclosed
EP-2308830-A1 Acid addition salts of 5-aminolevulinic acid or its derivatives Photocure ASA (NO) 2011-04-13 EP disclosed
US-7888526-B2 Nonhygroscopic photosensitizing agents; sulphonate, hydrobromide, sulfate, nitrate and/or phosphate derivatives; diagnosing skin disorders PHOTOCURE ASA (NO) 2011-02-15 US disclosed
US-20080064752-A1 Acid Addition Salts Of-5-Aminolevulinic Acid Or Its Derivatives PHOTOCURE ASA (NO) 2008-03-13 US disclosed
EP-1727786-A1 ACID ADDITION SALTS OF 5-AMINOLEVULINIC ACID OR ITS DERIVATIVES Photocure ASA (NO) 2006-12-06 EP disclosed
WO-2005092838-A1 ACID ADDITION SALTS OF 5-AMINOLEVULINIC ACID OR ITS DERIVATIVES PHOTOCURE ASA (NO) 2005-10-06 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-20080064752-A1 Acid Addition Salts Of-5-Aminolevulinic Acid Or Its Derivatives ALAD, AASDHPPT, ABAT ALDH1A1 793/4885GAA 649/4885LMNA 3222/4885

“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.