SCHEMBL3089576

SCHEMBL3089576

CC(S)C(=O)O.CC(S)C(=O)O.OC1(O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.38
RNPEP Q9H4A4 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
ABCB11 O95342 1/20 0.32
F2 P00734 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 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
SCHEMBL3100778 0.79 RNPEP (0.38) MMERNPEPALDH1A1CYP2C19ACE
SCHEMBL3089593 0.79 MME (0.38) MMETDP1ALDH1A1MAPTLMNA
SCHEMBL3095064 0.79 MME (0.45) MME
Acetic Acid SCHEMBL27768285 0.78 FFAR3 (0.41) ALDH1A1LMNACYP2C19TSHR
Acetic Acid SCHEMBL30455781 0.78 FFAR3 (0.41) ALDH1A1LMNACYP2C19TSHR
Acetic Acid SCHEMBL30455783 0.78 FFAR3 (0.41) ALDH1A1LMNACYP2C19TSHR
Bicarbonate SCHEMBL6243183 0.77 CYP2C19 (0.40) ALDH1A1LMNACYP2C19TSHR
Bicarbonate SCHEMBL28681892 0.77 CYP2C19 (0.40) ALDH1A1LMNACYP2C19TSHR
SCHEMBL3090737 0.77 MME (0.39) MMERNPEPTDP1ALDH1A1MAPT
SCHEMBL3095007 0.77 FOLH1 (0.39) MMETDP1HSD17B10MAPTLMNA

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 MME 4643/4885RNPEP 4530/4885TDP1 1759/4885

“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.