SCHEMBL1177280

SCHEMBL1177280

CC(C)c1ccc(COC(=O)CCC(=O)CN)cc1.CS(=O)(=O)O

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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
ROCK2 known ✓ O75116 3/20 0.38
ROCK1 known ✓ Q13464 3/20 0.38
HTR2C known ✓ P28335 1/20 0.37
EGFR known ✓ P00533 1/20 0.36
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
PDK2 Q15119 1/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL3398416 0.93 IDO1 (0.47) IDO1ALDH1A1GAALMNAKDM4E
Hydrochloric Acid SCHEMBL1177311 0.92 IDO1 (0.49) IDO1ALDH1A1GAALMNAKDM4E
SCHEMBL1177508 0.87 ALDH1A1 (0.51) ALDH1A1GAALMNAKMT2AMAPT
Dichloroacetic Acid SCHEMBL19182836 0.86 RXRA (0.41) IDO1ALDH1A1GAALMNAKDM4E
Chloroacetic Acid SCHEMBL19182786 0.86 RXRA (0.41) IDO1ALDH1A1GAALMNAKDM4E
SCHEMBL1177509 0.85 LMNA (0.38) IDO1ALDH1A1GAALMNARXRA
SCHEMBL1177288 0.85 ALDH1A1 (0.51) ALDH1A1GAALMNAKDM4EKMT2A
Trichloroacetic Acid SCHEMBL19182760 0.85 RXRA (0.40) IDO1ALDH1A1GAALMNAKDM4E
SCHEMBL1177875 0.84 LMNA (0.51) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL22319410 0.83 IDO1 (0.53) IDO1ALDH1A1GAALMNAKDM4E

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 ROCK2 2974/4885ROCK1 2886/4885HTR2C 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.