SCHEMBL5890645

SCHEMBL5890645

Cc1ccccc1-c1cccc(S)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CD274 Q9NZQ7 1/20 0.37
BRD4 O60885 1/20 0.36
HTR7 P34969 2/20 0.35
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
MYC P01106 1/20 0.34
GAA P10253 1/20 0.34
IDO1 P14902 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
SCHEMBL946983 0.83 TSHR (0.45) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL15259433 0.82 TRPA1 (0.39) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL284410 0.80 TSHR (0.47) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL27565196 0.80 NPC1 (0.38) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL28947604 0.78 BRD4 (0.38) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL3179746 0.78 TSHR (0.45) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL9701669 0.78 TSHR (0.45) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL30548743 0.78
SCHEMBL21520 0.78
SCHEMBL23891346 0.77 CA12 (0.50) TSHRACHENPC1RAB9ASMN1; SMN2

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
US-7053173-B2 Polymercaptopolyphenyl and process for preparation thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-05-30 US disclosed
US-20040092775-A1 Polymercaptopolyphenyl and process for preparation thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-05-13 US disclosed
EP-1380572-A1 POLYMERCAPTOPOLYPHENYLS AND METHOD FOR SYNTHESIS THEREOF Japan Science and Technology Corporation (JP) 2004-01-14 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 (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-20040092775-A1 Polymercaptopolyphenyl and process for preparation thereof TMT1A, MSMO1, TST TSHR 1397/4885ACHE 3828/4885NPC1 1240/4885

“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.