SCHEMBL600119

SCHEMBL600119

CCCOc1cc[nH]c(=S)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
CSNK2A1 P68400 2/20 0.33
GPR55 Q9Y2T6 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL601317 0.90 MAPT (0.36) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL601074 0.83 APOBEC3G (0.33) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL600143 0.80 ALDH1A1 (0.34) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL599561 0.79 KDM4E (0.43) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL8661562 0.73 MAPT (0.39) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL8549490 0.72 PPARD (0.44) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL11333941 0.70 MAPT (0.52) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL600960 0.69 GPR84 (0.39) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL13862857 0.67 ALDH1A1 (0.45) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL6832384 0.67 KMT2A (0.45) MAPTKDM4EHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420500-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION aRigen Pharmaceuticals, Inc. (JP) 2012-02-22 EP disclosed
US-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION LINK GENOMICS, INC. (JP) 2012-02-16 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-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION TPMT, TST, PTPN11 MAPT 4487/4885ALDH1A1 1770/4885HPGD 141/4885

“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.