SCHEMBL3087614

SCHEMBL3087614

CCC(S)C(=O)OCC(C)(COC(=O)C(S)CC)COC(=O)C(S)CC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL3077754 0.84 MAPK1 (0.33) CA2CA1CYP3A4HTTMAPK1
SCHEMBL19610444 0.84 MAPK1 (0.33) CA2CA1CYP3A4HTTMAPK1
SCHEMBL17744958 0.81 THRB (0.37) CA2CA1CYP3A4HTTMAPK1
SCHEMBL3082562 0.81 THRB (0.37) CA2CA1CYP3A4HTTMAPK1
SCHEMBL3094990 0.79 THRB (0.33) CYP3A4MAPK1
SCHEMBL2672671 0.77 LMNA (0.38) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL3081531 0.77 ALDH1A1 (0.36) LMNAHSD17B10CA2CA1TSHR
SCHEMBL7980194 0.77
SCHEMBL1141776 0.77
SCHEMBL2140940 0.76 CTSS (0.34) LMNACA2CA1HTT

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 4 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
US-20050265950-A1 Cross-linked cationic copolymers comprising regulators, and use therof in cosmetic preparations for hair BASF AKTIENGESELLSCHAFT (DE) 2005-12-01 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 (2 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 LMNA 4454/4885HSD17B10 1796/4885CA2 1942/4885
US-20050265950-A1 Cross-linked cationic copolymers comprising regulators, and use therof in cosmetic preparations for hair ETF1, MTHFD2, TWF2 LMNA 1756/4885HSD17B10 1846/4885CA2 2627/4885

“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.