SCHEMBL3100778

SCHEMBL3100778

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.38
MME P08473 5/20 0.34
FOLH1 Q04609 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARA Q07869 1/20 0.32
CYP2C19 P33261 1/20 0.31
ACE P12821 2/20 0.30
CPA1 P15085 2/20 0.30
ACE2 Q9BYF1 2/20 0.30
CETP P11597 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
SCHEMBL3090786 0.81 RNPEP (0.35) RNPEPMMEFOLH1ALDH1A1PPARA
SCHEMBL3089576 0.79 MME (0.38) RNPEPMMEALDH1A1CYP2C19ACE
SCHEMBL4867670 0.78
SCHEMBL154271 0.78
SCHEMBL4871212 0.78
SCHEMBL3082575 0.78 MME (0.36) MMEALDH1A1CYP2C19
Ammonia Solution, Strong SCHEMBL28110713 0.76
SCHEMBL27627623 0.76
Hydrochloric Acid SCHEMBL7704631 0.76
Methane SCHEMBL27676747 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 RNPEP 4530/4885MME 4643/4885FOLH1 2485/4885

“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.