SCHEMBL13795243

SCHEMBL13795243

C=CCNC(=S)NCCOC(=O)NCCOC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 3/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
ACHE P22303 2/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL23031291 0.82 THRB (0.49) THRBTSHRHTTACHECA1
SCHEMBL31312824 0.81 THRB (0.41) THRBTSHRACHEL3MBTL1ALDH1A1
SCHEMBL2403793 0.81 THRB (0.53) THRBTSHRACHEL3MBTL1ALDH1A1
SCHEMBL13872030 0.81 THRB (0.53) THRBTSHRACHEL3MBTL1ALDH1A1
SCHEMBL586950 0.80 THRB (0.42) THRBTSHRLMNAACHEKMT2A
SCHEMBL23031233 0.80 THRB (0.42) THRBTSHRHTTLMNAKMT2A
SCHEMBL24036478 0.79 TGM2 (0.42) THRBTSHRACHEL3MBTL1ALDH1A1
SCHEMBL11837277 0.78 THRB (0.43) THRBTSHRGAAHTTKMT2A
SCHEMBL10057616 0.78 TSHR (0.53) THRBTSHRHTTACHEPOLB
SCHEMBL14984891 0.78 THRB (0.46) THRBTSHRGAAACHEL3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083194-B2 Dental materials based on polymerizable thiourea derivatives IVOCLAR VIVADENT AG (LI) 2024-09-10 US disclosed
EP-4039220-B1 DENTAL MATERIALS ON THE BASIS OF POLYMERISABLE THIOUREA DERIVATIVES IVOCLAR VIVADENT AG (LI) 2022-12-28 EP disclosed
EP-4039220-B1 DENTAL MATERIALS ON THE BASIS OF POLYMERISABLE THIOUREA DERIVATIVES IVOCLAR VIVADENT AG (LI) 2022-12-28 EP disclosed
US-20220257474-A1 Dental Materials Based On Polymerizable Thiourea Derivatives IVOCLAR VIVADENT AG (LI) 2022-08-18 US disclosed
EP-4039220-A1 DENTAL MATERIALS ON THE BASIS OF POLYMERISABLE THIOUREA DERIVATIVES Ivoclar Vivadent AG (LI) 2022-08-10 EP disclosed
US-7541393-B2 Composition containing a polymerizable reducing agent, kit, and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-06-02 US disclosed
US-20070088096-A1 COMPOSITION CONTAINING A POLYMERIZABLE REDUCING AGENT, KIT, AND METHOD 3M INNOVATIVE PROPERTIES COMPANY 2007-04-19 US disclosed
US-7173074-B2 Composition containing a polymerizable reducing agent, kit, and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-02-06 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 (3 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-20220257474-A1 Dental Materials Based On Polymerizable Thiourea Derivatives TAS2R10, PAM, HBG1 THRB 231/4885TSHR 508/4885GAA 2781/4885
US-12083194-B2 Dental materials based on polymerizable thiourea derivatives TAS2R10, PAM, HBG1 THRB 231/4885TSHR 508/4885GAA 2781/4885
US-20070088096-A1 COMPOSITION CONTAINING A POLYMERIZABLE REDUCING AGENT, KIT, AND METHOD KIT, TST, SETDB1 THRB 3991/4885TSHR 3886/4885GAA 2899/4885

“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.