SCHEMBL601317

SCHEMBL601317

CCCCCOc1cc[nH]c(=S)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MMP2 P08253 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
NR5A1 Q13285 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL600119 0.90 MAPT (0.37) MAPTMEN1LMNAKMT2ACYP1A2
SCHEMBL601074 0.84 APOBEC3G (0.33) MAPTALDH1A1GAA
SCHEMBL600960 0.80 GPR84 (0.39) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL600143 0.78 ALDH1A1 (0.34) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL19612511 0.71 MAPT (0.53) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL24608167 0.69 CYP1A2 (0.52) MAPTCYP3A4LMNACYP1A2CYP2C9
SCHEMBL27509211 0.69 ESR1 (0.44) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL599561 0.69 KDM4E (0.43) MAPTMEN1LMNAKMT2ACYP1A2
SCHEMBL14956917 0.68 HTR1B (0.61) MAPTMEN1LMNAKMT2ACYP1A2
SCHEMBL2711055 0.67 HTR1B (0.59) MAPTCYP3A4MEN1NR1I2LMNA

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 4487/4885CYP3A4 104/4885MEN1 4193/4885

“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.