SCHEMBL1177408

SCHEMBL1177408

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

nearest known ligand 0.42

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 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 6/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
CA1 P00915 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 2/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL1177295 0.83 HTR2C (0.47) CYP1A2HTR2CALDH1A1KMT2ALMNA
SCHEMBL1177410 0.83 HTR2C (0.36) CYP1A2HTR2CCA2LMNACA1
SCHEMBL1574977 0.82 HTR2C (0.53) CYP1A2HTR2CALDH1A1KMT2ALMNA
SCHEMBL1177525 0.81 HTR2C (0.44) CYP1A2CYP2C9HTR2CALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1178042 0.80 HTR2C (0.51) CYP1A2HTR2CALDH1A1KMT2ALMNA
Hexaminolevulinate SCHEMBL1177698 0.80 HTR2C (0.65) CYP1A2CYP2C9HTR2CALDH1A1CA2
SCHEMBL1177415 0.79 ALDH1A1 (0.54) CYP1A2CYP2C9ALDH1A1CA2CA9
Methyl Aminolevulinate SCHEMBL1177327 0.78 LMNA (0.56) CYP1A2CYP2C9ALDH1A1KMT2ALMNA
SCHEMBL1177508 0.77 ALDH1A1 (0.51) CYP1A2CYP2C9ALDH1A1CA2KMT2A
SCHEMBL1177430 0.76 LMNA (0.62) CYP1A2CYP2C9ALDH1A1CA2KMT2A

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 CYP1A2 1812/4885CYP2C9 1495/4885HTR2C 2044/4885

“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.