SCHEMBL19086326

SCHEMBL19086326

Cc1cc([S+]([O-])c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
DHFR P00374 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PSMB5 P28074 2/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
BACE1 P56817 1/20 0.33
ALOX5 P09917 1/20 0.33
EPHX1 P07099 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
CYP17A1 P05093 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
LDHA P00338 1/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL26934437 0.81 CES2 (0.37) ALDH1A1MEN1POLBMAPTRAB9A
SCHEMBL4403138 0.78 ESR2 (0.35) ESR2DHFRCYP2A6CYP2B6
SCHEMBL20198342 0.78
SCHEMBL14760432 0.77 BACE1 (0.46) ESR2BACE1ALOX5ALDH1A1
SCHEMBL4119906 0.74 PTGS1 (0.42) PDE3BPDE3ABACE1ALOX5MEN1
SCHEMBL8772023 0.74 ALDH1A1 (0.47) ALOX5ALDH1A1MAPT
(Phenylsulfinyl)Benzene SCHEMBL11189079 0.73 ALDH1A1 (0.53) CYP2A6CYP2B6ALDH1A1RAB9A
SCHEMBL12336893 0.73 TDP1 (0.35) ALDH1A1
SCHEMBL28741356 0.72 MAOA (0.43) ALOX5ALDH1A1MEN1RAB9AKMT2A
SCHEMBL20198209 0.72 ESR2 (0.30) ESR2

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 ESR2 602/4885PDE3B 4026/4885PDE3A 3611/4885
US-10377705-B2 Method for preparing polyarylene sulfide (PAS) monomer ARSA, TST, RRS1 ESR2 602/4885PDE3B 4026/4885PDE3A 3611/4885

“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.