SCHEMBL4755949

SCHEMBL4755949

Cc1cc(CS(C)(=O)=O)ccc1C(=O)Nc1nccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.57
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ RAB9A P51151 8/20 0.51
▸ NPC1 O15118 7/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ PPARG P37231 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ GCK P35557 1/20 0.48
▸ LMNA P02545 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47

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
SCHEMBL4295738 0.80 NPC1 (0.66) ADORA2ACYP3A4CYP2C19RAB9ANPC1
SCHEMBL16073054 0.80 NPC1 (0.69) ADORA2ACYP3A4CYP2C19RAB9ANPC1
SCHEMBL4295367 0.76 ADORA2A (0.71) ADORA2ACYP3A4CYP2C19RAB9ANPC1
SCHEMBL16073082 0.76 RAB9A (0.70) ADORA2ACYP3A4CYP2C19RAB9ANPC1
SCHEMBL24072353 0.74 CYP3A4 (0.81) ADORA2ACYP3A4CYP2C19RAB9ANPC1
SCHEMBL30339046 0.74 CYP3A4 (0.81) ADORA2ACYP3A4CYP2C19RAB9ANPC1
SCHEMBL4292883 0.73 ADORA2A (1.00) ADORA2ACYP3A4CYP2C19RAB9ANPC1
SCHEMBL4292558 0.72 RAB9A (0.64) ADORA2ACYP3A4CYP2C19RAB9ANPC1
SCHEMBL29908279 0.71 HPGD (0.67) ADORA2ACYP3A4CYP2C19RAB9ANPC1
SCHEMBL29908280 0.71 HPGD (0.67) ADORA2ACYP3A4CYP2C19RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 — — US disclosed
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 — — 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-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC ADORA2A 3653/4885CYP3A4 1087/4885CYP2C19 3459/4885

“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.

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