SCHEMBL19086307

SCHEMBL19086307

CSc1ccc(-c2ccccc2)c(S)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
CHRM1 P11229 1/20 0.38
ESR2 Q92731 1/20 0.36
BACE1 P56817 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
ALOX5 P09917 1/20 0.35
FGFR1 P11362 1/20 0.35
PLAU P00749 1/20 0.35
DHODH Q02127 1/20 0.35
MCL1 Q07820 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34

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
SCHEMBL27523260 0.85 CHRM1 (0.41) PTGS2PTGS1CHRM1BACE1FGFR1
SCHEMBL19259678 0.77 PTGS2 (0.41) PTGS2PTGS1CHRM1ESR2BACE1
SCHEMBL3790226 0.77 ALDH1A1 (0.48) PTGS2PTGS1CHRM1ESR2PLAU
SCHEMBL29377091 0.77 ALDH1A1 (0.48) PTGS2PTGS1CHRM1ESR2PLAU
SCHEMBL27635270 0.77 ALDH1A1 (0.48) PTGS2PTGS1CHRM1ESR2BACE1
SCHEMBL4663041 0.77 S1PR1 (0.41) PTGS2ESR2AKR1C3AKR1C2
SCHEMBL27523259 0.76 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL19259769 0.74 CHRM1 (0.42) PTGS2PTGS1CHRM1BACE1FGFR1
SCHEMBL10629178 0.74 ESR2 (0.48) ESR2BACE1ALOX5
SCHEMBL3791154 0.73 ALDH1A1 (0.48) PTGS2PTGS1CHRM1BACE1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190142-B1 METHOD FOR PREPARING POLYARYLENE SULFIDE (PAS) MONOMER IND TECH RES INST (TW) 2022-05-04 EP disclosed
US-10377705-B2 Method for preparing polyarylene sulfide (PAS) monomer INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-08-13 US disclosed
US-20170197913-A1 METHOD FOR PREPARING POLYARYLENE SULFIDE (PAS) MONOMER INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-07-13 US disclosed
EP-3190142-A1 METHOD FOR PREPARING POLYARYLENE SULFIDE (PAS) MONOMER Industrial Technology Research Institute (TW) 2017-07-12 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-20170197913-A1 METHOD FOR PREPARING POLYARYLENE SULFIDE (PAS) MONOMER ARSA, TST, RRS1 PTGS2 713/4885PTGS1 773/4885CHRM1 1958/4885
US-10377705-B2 Method for preparing polyarylene sulfide (PAS) monomer ARSA, TST, RRS1 PTGS2 713/4885PTGS1 773/4885CHRM1 1958/4885

“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.