SCHEMBL16626782

SCHEMBL16626782

C=CC(=O)OCCNC(=O)SC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 2/20 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
SCHEMBL16623993 0.83 THRB (0.33) TSHRALDH1A1THRB
SCHEMBL16623952 0.79 GAA (0.35) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16623954 0.79 KDM4E (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16623960 0.71 GAA (0.34) ALDH1A1
SCHEMBL16623964 0.70 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16623966 0.69 KDM4E (0.39) TSHRALDH1A1
SCHEMBL69450 0.69 TSHR (0.35) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19518768 0.68 TSHR (0.33) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2721018 0.66 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19376439 0.65 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A

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
EP-3052481-B1 USE OF POLYMERIZABLE STABLE RADICALS FOR REDUCING THE SHRINKAGE STRESS OF DENTAL COMPOSITIONS DENTSPLY SIRONA INC (US) 2020-04-08 EP disclosed
US-9931280-B2 Dental composite compositions for reduced shrinkage stress DENTSPLY SIRONA INC. (US) 2018-04-03 US disclosed
US-20150099821-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE DENTSPLY SIRONA INC. 2015-04-09 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 (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-20150099821-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE VCL, HSPA4L, GPX4 TSHR 3714/4885HPGD 419/4885ALDH1A1 2471/4885

“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.