SCHEMBL1177288

SCHEMBL1177288

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

nearest known ligand 0.51

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 16)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 1/20 0.39
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 3/20 0.50
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 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
SCHEMBL3398540 0.93 MAPT (0.53) ALDH1A1GAAMAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL1177366 0.91 MAPT (0.52) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL1177415 0.91 ALDH1A1 (0.54) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL1177875 0.87 LMNA (0.51) ALDH1A1MAPTKMT2ALMNACA1
SCHEMBL1177416 0.85 LMNA (0.48) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL1177280 0.85 IDO1 (0.42) ALDH1A1GAAMAPTKMT2ALMNA
Chloroacetic Acid SCHEMBL19183007 0.85 ALDH1A1 (0.47) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL1177430 0.85 LMNA (0.62) ALDH1A1GAAMAPTKMT2ALMNA
Trichloroacetic Acid SCHEMBL19183346 0.84 ALDH1A1 (0.46) ALDH1A1GAAMAPTKMT2ALMNA
Dichloroacetic Acid SCHEMBL19183184 0.84 ALDH1A1 (0.46) ALDH1A1GAAMAPTKMT2ALMNA

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 5 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

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 HTR2C 2044/4885ALDH1A1 793/4885GAA 649/4885

“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.