SCHEMBL3100952

SCHEMBL3100952

O=C(O)CCCS.O=C(O)CCCS.OC1(O)CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.52
CYP1A2 P05177 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 3/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
TSHR P16473 2/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37
CYP2C19 P33261 1/20 0.36
ACE P12821 1/20 0.35
CAMK2A Q9UQM7 1/20 0.34
ENPEP Q07075 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
GSTK1 Q9Y2Q3 1/20 0.34
MME P08473 1/20 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
Mercaptopropionic Acid SCHEMBL3082570 0.88 ACE (0.43) FOLH1CYP1A2SMN1; SMN2MAPK1LMNA
SCHEMBL29214074 0.85 TSHR (0.55) LMNASLC22A6TSHRNFKB1PMP22
Succinic Acid SCHEMBL27727078 0.83 LMNA (0.47) FOLH1CYP1A2SMN1; SMN2MAPK1LMNA
SCHEMBL3095099 0.81 FOLH1 (0.48) FOLH1CYP1A2SMN1; SMN2MAPK1LMNA
SCHEMBL37529 0.78
Dodecanoate SCHEMBL27401944 0.77 GPR84 (0.63) CYP1A2LMNASLC22A6TSHRCYP2C19
Palmitic Acid SCHEMBL27440050 0.77 GPR84 (0.63) CYP1A2LMNASLC22A6TSHRCYP2C19
Stearic Acid SCHEMBL27416335 0.77 GPR84 (0.63) CYP1A2LMNASLC22A6TSHRCYP2C19
Hydrochloric Acid SCHEMBL7707629 0.75
Hydrochloric Acid SCHEMBL9687184 0.75

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 FOLH1 2485/4885CYP1A2 1092/4885SMN1; SMN2 3675/4885

“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.