SCHEMBL398106

SCHEMBL398106

CCOC(=O)CC(SC)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ F2 P00734 1/20 0.48
▸ F10 P00742 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ GAA P10253 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
SCHEMBL18113277 0.84 TSHR (0.47) ALDH1A1TSHRF2F10MMP8
SCHEMBL19911084 0.84 TSHR (0.47) ALDH1A1TSHRF2F10MMP8
SCHEMBL232194 0.83 F2 (0.59) ALDH1A1TSHRF2F10MMP8
SCHEMBL7178642 0.81 ALDH1A1 (0.55) ALDH1A1TSHRF2F10MMP8
SCHEMBL14336025 0.81 F2 (0.52) ALDH1A1TSHRF2F10MMP8
SCHEMBL4405154 0.80 F2 (0.56) ALDH1A1TSHRF2F10MMP8
SCHEMBL30040482 0.80 F2 (0.56) ALDH1A1TSHRF2F10MMP8
SCHEMBL9108455 0.79 GABBR2 (0.53) MEN1KMT2ACYP2D6CYP2C19
SCHEMBL7141857 0.79 F2 (0.55) ALDH1A1TSHRF2F10MMP8
SCHEMBL3863643 0.79 F2 (0.55) ALDH1A1TSHRF2F10MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321270-B1 IMPROVED PROCESS FOR THE ADDITION OF THIOLATES TO ALFA, BETA-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS DOW AGROSCIENCES LLC (US) 2016-03-23 — — EP disclosed
EP-2321270-B1 IMPROVED PROCESS FOR THE ADDITION OF THIOLATES TO ALFA, BETA-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS DOW AGROSCIENCES LLC (US) 2016-03-23 — — EP disclosed
CN-102186814-B Improved process for the addition of thiolates to alfa, beta-unsaturated carbonyl or sulfonyl compounds DOW AGROSCIENCES LLC (US) 2014-10-01 — — CN disclosed
US-8101803-B2 Process for the addition of thiolates to α,β-unsaturated carbonyl or sulfonyl compounds DOW AGROSCIENCES LLC (US) 2012-01-24 — — US disclosed
US-8101803-B2 Process for the addition of thiolates to α,β-unsaturated carbonyl or sulfonyl compounds DOW AGROSCIENCES LLC (US) 2012-01-24 — — US disclosed
CN-102186814-A Improved process for the addition of thiolates to alfa, beta-unsaturated carbonyl or sulfonyl compounds DOW AGROSCIENCES LLC 2011-09-14 — — CN disclosed
EP-2321270-A1 IMPROVED PROCESS FOR THE ADDITION OF THIOLATES TO ALFA, BETA-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS Dow AgroSciences LLC (US) 2011-05-18 — — EP disclosed
WO-2010021855-A1 IMPROVED PROCESS FOR THE ADDITION OF THIOLATES TO ALFA, BETA-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS DOW AGROSCIENCES LLC (US) 2010-02-25 — — WO disclosed
WO-2010021855-A1 IMPROVED PROCESS FOR THE ADDITION OF THIOLATES TO ALFA, BETA-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS DOW AGROSCIENCES LLC (US) 2010-02-25 — — WO disclosed
US-20100048939-A1 PROCESS FOR THE ADDITION OF THIOLATES TO ?,?-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS DOW AGROSCIENCES LLC (US) 2010-02-25 — — US disclosed
US-20100048939-A1 PROCESS FOR THE ADDITION OF THIOLATES TO ?,?-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS DOW AGROSCIENCES LLC (US) 2010-02-25 — — 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-20100048939-A1 PROCESS FOR THE ADDITION OF THIOLATES TO ?,?-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS CBS, TST, KCNJ1 ALDH1A1 305/4885TSHR 2135/4885F2 4076/4885

“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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