SCHEMBL17424802

SCHEMBL17424802

C=C(CS(C)(=O)=O)C(=O)OCCCCCCCCCCCOC(=O)C(=C)CS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NAAA Q02083 1/20 0.35
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
EPHX1 P07099 1/20 0.33
THRB P10828 1/20 0.33
ACHE P22303 6/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 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
SCHEMBL17424814 0.84 THRB (0.46) TSHRALDH1A1THRB
SCHEMBL23095595 0.82 TSHR (0.47) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL27588151 0.80 TSHR (0.59) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL3951015 0.79 ALDH1A1 (0.45) TSHRALDH1A1HTTNPSR1LMNA
SCHEMBL23095593 0.78 THRB (0.41) TSHRALDH1A1CYP3A4THRB
SCHEMBL1175051 0.76 TSHR (0.49) TSHRALDH1A1TDP1NAAARAD52
SCHEMBL9646938 0.74 TSHR (0.55) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL8080880 0.73 APP (0.34) TSHR
SCHEMBL11803516 0.72 TSHR (0.69) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL3503962 0.72 TSHR (0.69) TSHRALDH1A1NAAARAD52NPSR1

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-20170172855-A1 Compositions With Controlled Network Structure TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-22 US disclosed
US-20170172855-A1 Compositions With Controlled Network Structure TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-22 US disclosed
US-20170156993-A1 DENTAL MATERIALS WITH DEBONDING-ON-DEMAND PROPERTIES TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-08 US disclosed
US-20170156993-A1 DENTAL MATERIALS WITH DEBONDING-ON-DEMAND PROPERTIES TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-08 US disclosed
WO-2016005540-A1 DENTAL MATERIALS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2016-01-14 WO disclosed
WO-2016005534-A1 COMPOSITES HAVING A CONTROLLED NETWORK STRUCTURE IVOCLAR VIVADENT AG (LI) 2016-01-14 WO disclosed
EP-2965741-A1 Composites with controlled network structure Ivoclar Vivadent AG (LI) 2016-01-13 EP disclosed
EP-2965740-A1 Dental materials with debonding on demand properties Ivoclar Vivadent AG (LI) 2016-01-13 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 (2 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-20170172855-A1 Compositions With Controlled Network Structure NCLN, RAD51, SMCHD1 TSHR 4627/4885ALDH1A1 2901/4885CYP3A4 2866/4885
US-20170156993-A1 DENTAL MATERIALS WITH DEBONDING-ON-DEMAND PROPERTIES DCLRE1A, RAD51, TERB1 TSHR 3799/4885ALDH1A1 992/4885CYP3A4 2406/4885

“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.