SCHEMBL1386987

SCHEMBL1386987

CC(C)COC(=S)SCCSC(=S)OCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 3/20 0.35
CYP2D6 P10635 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL29093090 0.91 ALDH1A1 (0.38) ALDH1A1HPGDTSHRCYP2D6
SCHEMBL29130561 0.84 ALDH1A1 (0.36) ALDH1A1HPGDTSHRCYP2D6CA12
SCHEMBL27673631 0.84 ALDH1A1 (0.35) ALDH1A1HPGDTSHRCYP2D6CA12
SCHEMBL28201267 0.80 ALDH1A1 (0.33) ALDH1A1HPGDTSHRCYP2D6
SCHEMBL27565729 0.80 ALDH1A1 (0.33) ALDH1A1HPGDTSHRCYP2D6
SCHEMBL29649041 0.80 ALDH1A1 (0.38) ALDH1A1HPGDTSHRCA12CA1
SCHEMBL28859067 0.80 TSHR (0.39) ALDH1A1HPGDTSHRCA12CA1
SCHEMBL28486423 0.79 TSHR (0.44) ALDH1A1HPGDTSHR
SCHEMBL28638770 0.78
SCHEMBL29209199 0.76 ALDH1A1 (0.36) ALDH1A1HPGDTSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4774505-B2 2011-09-14 JP claimed
EP-1373238-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES Council of Scientific and Industrial Research;an Indian Reg. body incorporated under Reg. of Societies Act (Act XXI of 1860) (IN) 2004-01-02 EP claimed
US-6583175-B2 Used as insect growth regulatory for pest management in agricultural fields no or less environmental impact COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-06-24 US claimed
US-20030022931-A1 ALKYLXANTHATES AND USE OF ALKYLXANTHATES IN THE INTEGRATED PEST MANAGEMENT COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2003-01-30 US claimed
WO-2002079179-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO claimed
EP-1373238-B1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES COUNCIL SCIENT IND RES (IN) 2004-11-03 EP disclosed
EP-1373238-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES Council of Scientific and Industrial Research;an Indian Reg. body incorporated under Reg. of Societies Act (Act XXI of 1860) (IN) 2004-01-02 EP disclosed
US-6583175-B2 Used as insect growth regulatory for pest management in agricultural fields no or less environmental impact COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-06-24 US disclosed
US-20030022931-A1 ALKYLXANTHATES AND USE OF ALKYLXANTHATES IN THE INTEGRATED PEST MANAGEMENT COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2003-01-30 US disclosed
WO-2002079179-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO 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-20030022931-A1 ALKYLXANTHATES AND USE OF ALKYLXANTHATES IN THE INTEGRATED PEST MANAGEMENT AGXT, HAX1, ANTXR2 ALDH1A1 3978/4885HPGD 3193/4885TSHR 669/4885

“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.