SCHEMBL3215253

SCHEMBL3215253

O=C(O)CCC(S)c1ccccc1.O=C(O)CCC(S)c1ccccc1.OC(O)COCC(O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.44
FOLH1 Q04609 1/20 0.44
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CPA3 P15088 1/20 0.38
GGH Q92820 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
FFAR1 O14842 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL877952 0.87 CYP2D6 (0.48) NAALAD2FOLH1CYP1A2CYP2D6ALDH1A1
SCHEMBL3212688 0.84 GABBR2 (0.42) CYP1A2CYP2D6ALDH1A1CYP2C19CPA3
Ethylene Glycol SCHEMBL3192561 0.82 CYP2D6 (0.44) NAALAD2FOLH1CYP1A2CYP2D6ALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL3207862 0.81 CYP2D6 (0.42) NAALAD2FOLH1CYP1A2CYP2D6ALDH1A1
SCHEMBL3204228 0.81 NAALAD2 (0.41) NAALAD2CYP1A2CYP2D6ALDH1A1TSHR
Glycerin SCHEMBL3213893 0.81 ALDH1A1 (0.41) NAALAD2FOLH1CYP1A2CYP2D6ALDH1A1
Glycerin SCHEMBL3214162 0.81 ALDH1A1 (0.41) NAALAD2FOLH1CYP1A2CYP2D6ALDH1A1
Propylene Glycol SCHEMBL3212556 0.79 ALDH1A1 (0.40) NAALAD2CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL3209374 0.79 NAALAD2 (0.37) NAALAD2FOLH1CYP1A2CYP2D6ALDH1A1
SCHEMBL3206596 0.79 ALDH1A1 (0.42) NAALAD2FOLH1CYP1A2CYP2D6ALDH1A1

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-20100029876-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT, AND PROCESS FOR PRODUCING THIOL COMPOUND SHOWA DENKO K.K. (JP) 2010-02-04 US disclosed
EP-2030989-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT AND METHOD FOR PRODUCING THIOL COMPOUND Showa Denko K.K. (JP) 2009-03-04 EP 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-20100029876-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT, AND PROCESS FOR PRODUCING THIOL COMPOUND TMT1A, CCNT1, MGMT NAALAD2 951/4885FOLH1 3294/4885CYP1A2 3066/4885

“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.