SCHEMBL14168754

SCHEMBL14168754

CS(=O)(=O)c1ccc2c(c1)SCC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 5/20 0.46
▸ KDM1A O60341 1/20 0.42
▸ SLC6A4 P31645 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ IDE P14735 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 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
SCHEMBL18007525 0.82 CA2 (0.53) PNMTLMNA
SCHEMBL12828070 0.69 CA12 (0.66) PNMTKDM1ASMN1; SMN2ALDH3A1PTGS2
SCHEMBL11948273 0.69 PNMT (0.61) PNMTKDM1ASMN1; SMN2ALDH3A1LMNA
SCHEMBL5430890 0.67 PBRM1 (0.39) —
SCHEMBL5306285 0.67 MAPT (0.36) SLC6A4SMN1; SMN2LMNA
SCHEMBL10389578 0.67 ALDH1A1 (0.36) SMN1; SMN2LMNA
SCHEMBL14297366 0.67 PNMT (0.53) PNMTKDM1ASLC6A4
SCHEMBL4030704 0.66 PNMT (0.81) PNMT
SCHEMBL10158484 0.66 PNMT (0.56) PNMTKDM1A
SCHEMBL1003926 0.66 PBRM1 (0.52) PNMTKDM1APTGS2

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-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 — — US disclosed
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 — — US disclosed
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 — — 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 (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-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 PNMT 2529/4885KDM1A 872/4885SLC6A4 1441/4885
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use PTGER1, PTGER3, NR3C1 PNMT 827/4885KDM1A 343/4885SLC6A4 730/4885

“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.

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