SCHEMBL600158

SCHEMBL600158

CCCCCSc1cc[nH]c(=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
GPR84 Q9NQS5 4/20 0.40
PTGS2 P35354 3/20 0.39
XDH P47989 2/20 0.39
SOAT1 P35610 7/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
KDM3B Q7LBC6 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL599638 0.82 KDM4E (0.34) PTGS2KDM4E
SCHEMBL601650 0.81 PTGS2 (0.36) CYP2C9CYP2C19CYP1A2GPR84PTGS2
SCHEMBL601804 0.78 PTGS2 (0.53) PTGS2
SCHEMBL11798763 0.75 PTGS2 (0.39) CYP2C9CYP2C19GPR84PTGS2XDH
SCHEMBL7106336 0.71 G6PD (0.42) CYP2C9CYP2C19CYP1A2GPR84PTGS2
SCHEMBL601673 0.71 PARP1 (0.33) CYP2C9CYP1A2KDM4E
SCHEMBL5237062 0.69 GPR84 (0.44) CYP2C9CYP2C19GPR84XDHSOAT1
SCHEMBL601383 0.68 PTGS2 (0.32) PTGS2
SCHEMBL8374078 0.67 TYR (0.47) GPR84PTGS2
SCHEMBL23748605 0.66 PTGS2 (0.50) CYP1A2PTGS2KDM6BKDM4AKDM4D

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 CYP2C9 129/4885CYP2C19 81/4885CYP1A2 441/4885

“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.