SCHEMBL3515604

SCHEMBL3515604

O=C(CCCCS)OCS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
DGKA P23743 1/20 0.41
CYP1A2 P05177 1/20 0.41
DNM1 Q05193 1/20 0.38
PAM P19021 2/20 0.38
TSHR P16473 4/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC3 O15379 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC10 Q969S8 4/20 0.34
HDAC11 Q96DB2 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
HDAC4 P56524 3/20 0.34

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
SCHEMBL3516148 0.92
SCHEMBL4180522 0.86 CYP1A2 (0.59) FOLH1DGKACYP1A2DNM1PAM
SCHEMBL31576091 0.85 DGKA (0.58) FOLH1DGKACYP1A2DNM1PAM
SCHEMBL29132867 0.84 CYP1A2 (0.57) FOLH1DGKACYP1A2DNM1PAM
SCHEMBL8987375 0.84 CYP1A2 (0.57) FOLH1DGKACYP1A2DNM1PAM
SCHEMBL1593860 0.84 CYP1A2 (0.57) FOLH1DGKACYP1A2DNM1PAM
SCHEMBL6221918 0.84 CYP1A2 (0.57) FOLH1DGKACYP1A2DNM1PAM
SCHEMBL7075209 0.84 CYP1A2 (0.57) FOLH1DGKACYP1A2DNM1PAM
SCHEMBL8987382 0.84 CYP1A2 (0.57) FOLH1DGKACYP1A2DNM1PAM
SCHEMBL3516020 0.83 DGKA (0.50) FOLH1DGKACYP1A2DNM1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS CHEMTURA CORPORATION (US) 2010-07-29 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-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS SULT1E1, SULT1A1, TST FOLH1 4882/4885DGKA 4070/4885CYP1A2 2074/4885

“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.