SCHEMBL3215205

SCHEMBL3215205

O=C(O)C(S)c1ccccc1.O=C(O)C(S)c1ccccc1.O=C(O)C(S)c1ccccc1.O=C(O)C(S)c1ccccc1.O=C(O)C(S)c1ccccc1.O=C(O)C(S)c1ccccc1.OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CYP2D6 P10635 2/20 0.37
SRC P12931 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
HIF1A Q16665 1/20 0.35
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3202620 0.88 SRC (0.43) MMEACE2CYP2D6SRCLMNA
SCHEMBL3215199 0.88 SRC (0.43) MMEACE2CYP2D6SRCLMNA
SCHEMBL3215149 0.82 RIPK1 (0.41) MMEACE2CYP2D6SRCLMNA
SCHEMBL1171448 0.81 GABBR2 (0.39) MAPK1HIF1ASMN1; SMN2CYP2C19
SCHEMBL3209374 0.80 NAALAD2 (0.37) CYP2D6MAPK1HIF1ACYP1A2CYP2C19
SCHEMBL3215191 0.79 MAPK1 (0.47) MMEACE2CYP2D6SRCLMNA
Ethylene Glycol SCHEMBL3208351 0.79 SRC (0.48) MMEACE2CYP2D6SRCLMNA
Ethylene Glycol SCHEMBL5345328 0.79 SRC (0.48) MMEACE2CYP2D6SRCLMNA
SCHEMBL74366 0.78 SRC (0.56) MMEACE2CYP2D6SRCLMNA
Di(Hydroxyethyl)Ether SCHEMBL3212524 0.78 CYP2D6 (0.41) MMEACE2CYP2D6SRCLMNA

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 MME 4385/4885ACE2 3735/4885CYP2D6 4344/4885

“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.