SCHEMBL7034585

SCHEMBL7034585

O=Cc1ccccc1SCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
FFAR1 O14842 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CDC25B P30305 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A12 Q96S37 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CXCL12 P48061 1/20 0.41
RAB9A P51151 1/20 0.41
TRIM24 O15164 1/20 0.41

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
SCHEMBL14273063 0.82 CYP1A2 (0.73) CYP1A2FFAR1KDM4EALDH1A1HPGD
SCHEMBL9711982 0.79 LMNA (0.48) CYP1A2PTGDR2ALDH1A1HPGDMEN1
SCHEMBL14215044 0.76 MCL1 (0.49) CYP1A2KDM4EMEN1KMT2ABLM
SCHEMBL3181540 0.76 POLB (0.55) CYP1A2ALDH1A1HPGDHSD17B10MEN1
SCHEMBL979786 0.76 MEN1 (0.44) CYP1A2PTGDR2KDM4EALDH1A1HPGD
SCHEMBL2801460 0.75 LMNA (0.48) CYP1A2PTGDR2ALDH1A1HPGDHSD17B10
SCHEMBL6659512 0.75 CYP1A2 (0.63) CYP1A2FFAR1KDM4EALDH1A1HPGD
SCHEMBL7402835 0.75 CYP1A2 (0.63) CYP1A2FFAR1KDM4EALDH1A1HPGD
SCHEMBL28764582 0.74 ALDH1A1 (0.46) CYP1A2FFAR1PTGDR2ALDH1A1CDC25B
SCHEMBL8676119 0.73 CYP1A2 (0.61) CYP1A2FFAR1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2021-07-29 US disclosed
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 US disclosed
WO-2018069532-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-04-19 WO disclosed
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 WO disclosed
EP-1064276-B1 PROCESS FOR SYNTHESIZING SUBSTITUTED 2-BENZO b] THIOPHENE CARBOXYLIC ACIDS AND SALTS THEREOF UNIROYAL CHEM CO INC (US) 2003-02-26 EP disclosed
US-5965749-A Process for synthesizing substituted 2-benzo [b]thiophenecarboxylic acids and salts thereof UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-10-12 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 (2 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-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 CYP1A2 1119/4885FFAR1 3480/4885PTGDR2 3221/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 CYP1A2 1119/4885FFAR1 3480/4885PTGDR2 3221/4885

“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.