SCHEMBL3090737

SCHEMBL3090737

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
CACNA2D1 P54289 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RNPEP Q9H4A4 1/20 0.34
ACE P12821 2/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3088957 0.83 CACNA2D1 (0.39) MMEALDH1A1LMNACYP1A2USP2
SCHEMBL3090786 0.83 RNPEP (0.35) MMEALDH1A1LMNACYP1A2USP2
SCHEMBL3091227 0.83 MME (0.42) MMEALDH1A1LMNACYP1A2USP2
Acetic Acid SCHEMBL27747321 0.81 CYP1A2 (0.45) ALDH1A1LMNACYP1A2USP2TSHR
SCHEMBL3097380 0.80 GABRP (0.37) MMEALDH1A1LMNACYP1A2USP2
Bicarbonate SCHEMBL30612373 0.80 ALDH1A1 (0.48) ALDH1A1LMNACYP1A2USP2TSHR
Bicarbonate SCHEMBL10694124 0.80 ALDH1A1 (0.48) ALDH1A1LMNACYP1A2USP2TSHR
SCHEMBL28716094 0.78 CYP1A2 (0.37) MMEALDH1A1LMNACYP1A2USP2
Oxalic Acid SCHEMBL30284954 0.78 CYP1A2 (0.46) ALDH1A1LMNACYP1A2USP2TSHR
Hydrogen Peroxide SCHEMBL27973505 0.78 ALDH1A1 (0.42) ALDH1A1LMNACYP1A2USP2TSHR

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 4643/4885ALDH1A1 1341/4885LMNA 4454/4885

“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.