SCHEMBL209594

SCHEMBL209594

O=C(O)CC(CCS)(CCS)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CPT2 P23786 2/20 0.34
FFAR1 O14842 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACLY P53396 3/20 0.33
FOLH1 Q04609 1/20 0.33
ACE P12821 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10887317 0.84 FOLH1 (0.44) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL2876893 0.82 HSPD1 (0.33) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL2883781 0.79 HSPD1 (0.38) ALDH1A1TSHRFFAR1TDP1
SCHEMBL5051153 0.78 FOLH1 (0.42) ALDH1A1TSHRFOLH1ACE
SCHEMBL2446996 0.78 ALDH1A1 (0.53) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL10885776 0.78 FFAR1 (0.30) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1049552 0.77 ALDH1A1 (0.42) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL4347798 0.75 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL2871512 0.75 MEN1 (0.35) ALDH1A1
SCHEMBL11798815 0.75 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHRCYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088937-B2 Alkyltin sulfanyl diester thiols GALATA CHEMICALS, LLC (US) 2012-01-03 US disclosed
US-20100298589-A1 Alkyltin Sulfanyl Diester Thiols GALATA CHEMICALS, LLC (US) 2010-11-25 US disclosed
US-7781504-B2 Alkyltin sulfanyl diester thiols GALATA CHEMICALS, LLC (US) 2010-08-24 US disclosed
WO-2008069904-A1 ALKYLTIN SULFANYL DIESTER THIOLS CHEMTURA CORPORATION (US) 2008-06-12 WO disclosed
US-20080132621-A1 Alkyltin sulfanyl diester thiols AQUA CLEAR INDUSTRIES, LLC 2008-06-05 US disclosed
US-RE30810-E HEAT STABILIZERS FOR POLYMERS THIOKOL CORPORATION (US) 1981-12-01 US disclosed
US-RE30032-E POLYMER STABILIZERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1979-06-12 US disclosed
US-3979359-A STABILIZERS FOR VINYL- AND VINYLIDENE HALIDE POLYMERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-09-07 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-20100298589-A1 Alkyltin Sulfanyl Diester Thiols TST, SULT1A1, SULT1E1 ALDH1A1 2623/4885CYP2D6 2216/4885TSHR 552/4885
US-20080132621-A1 Alkyltin sulfanyl diester thiols TST, SULT1A1, SULT1E1 ALDH1A1 2623/4885CYP2D6 2216/4885TSHR 552/4885

“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.