SCHEMBL20025698

SCHEMBL20025698

CCC(C)c1ccc(SC)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.61
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOA P21397 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL29657170 1.00 SLC6A4 (0.61) SLC6A4ALDH1A1USP2GAAPKM
SCHEMBL943047 0.84 ALDH1A1 (0.47) SLC6A4ALDH1A1USP2GAAPKM
SCHEMBL20621635 0.83 SLC6A4 (0.52) SLC6A4MAOASLC6A2SLC6A3
SCHEMBL598140 0.83 ALDH1A1 (0.52) ALDH1A1USP2GAAPKMHPGD
SCHEMBL24032674 0.80 SLC6A4 (0.48) SLC6A4ALDH1A1MAOASLC6A2SLC6A3
SCHEMBL1104208 0.80 SLC6A4 (0.50) SLC6A4ALDH1A1USP2GAAPKM
SCHEMBL2021510 0.80 ALDH1A1 (0.44) SLC6A4ALDH1A1USP2GAAPKM
SCHEMBL12201107 0.80 ALDH1A1 (0.44) SLC6A4ALDH1A1USP2GAAPKM
SCHEMBL20032404 0.79 SLC6A4 (0.63) SLC6A4MAOASLC6A2SLC6A3
SCHEMBL23516454 0.78 SLC6A4 (0.47) SLC6A4ALDH1A1MAOASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148990-B1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIV BERN (CH) 2022-01-19 EP disclosed
US-10791739-B2 Binary compositions as disruptors of orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2020-10-06 US disclosed
US-10328161-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-06-25 US disclosed
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING VANDERBILT UNIVERSITY 2018-04-05 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 (3 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-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING OR51E2, OR10J3, ORC3 SLC6A4 3622/4885ALDH1A1 2668/4885USP2 2409/4885
US-10328161-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof GFPT1, QPCT, GLB1 SLC6A4 2747/4885ALDH1A1 3234/4885USP2 2020/4885
US-10791739-B2 Binary compositions as disruptors of orco-mediated odorant sensing OR51E2, OR10J3, ORC3 SLC6A4 3622/4885ALDH1A1 2668/4885USP2 2409/4885

“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.