SCHEMBL3088957

SCHEMBL3088957

CC(S)CC(=O)O.CC(S)CC(=O)O.OCC1(CO)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.39
CYP1A2 P05177 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MME P08473 3/20 0.36
CYP2C19 P33261 1/20 0.33
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32

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
SCHEMBL3090737 0.83 MME (0.39) CACNA2D1CYP1A2USP2ALDH1A1LMNA
SCHEMBL3098058 0.83 CYP1A2 (0.37) CACNA2D1CYP1A2USP2ALDH1A1LMNA
SCHEMBL3097380 0.83 GABRP (0.37) CACNA2D1CYP1A2USP2ALDH1A1LMNA
SCHEMBL3089593 0.81 MME (0.38) CACNA2D1CYP1A2USP2ALDH1A1LMNA
Thioglycolic Acid SCHEMBL997716 0.77 ALDH1A1 (0.47) CACNA2D1CYP1A2USP2ALDH1A1LMNA
Acetic Acid SCHEMBL27747321 0.76 CYP1A2 (0.45) CACNA2D1CYP1A2USP2ALDH1A1LMNA
Bicarbonate SCHEMBL10694124 0.76 ALDH1A1 (0.48) CACNA2D1CYP1A2USP2ALDH1A1LMNA
Bicarbonate SCHEMBL30612373 0.76 ALDH1A1 (0.48) CACNA2D1CYP1A2USP2ALDH1A1LMNA
SCHEMBL98745 0.76
SCHEMBL20966262 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283095-B2 Thiourethane compound and photosensitive resin composition SHOWA DENKO K.K. (JP) 2012-10-09 US disclosed
US-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION SHOWA DENKO K.K. (JP) 2010-09-16 US disclosed
EP-2055726-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Showa Denko K.K. (JP) 2009-05-06 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-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION RCOR3, CBR3, TAS2R3 CACNA2D1 4830/4885CYP1A2 1092/4885USP2 2425/4885

“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.