SCHEMBL6312978

SCHEMBL6312978

O=S(=O)(Nc1nccs1)c1c[c]ccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP2C9 P11712 1/20 0.57
EDNRA P25101 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
PRMT6 Q96LA8 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.52
PKM P14618 5/20 0.52
ATM Q13315 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SCN3A Q9NY46 3/20 0.46
SCN1A P35498 2/20 0.46
SCN5A Q14524 2/20 0.46
SCN9A Q15858 2/20 0.46
SCN8A Q9UQD0 2/20 0.46

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
SCHEMBL3002532 0.82 ALDH1A1 (0.68) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL326633 0.82 ALDH1A1 (0.71) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Hydrochloric Acid SCHEMBL27575105 0.80 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL7112959 0.77 AURKA (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL3070565 0.77 ALDH1A1 (0.68) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL3476554 0.77 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL1094871 0.74 ALDH1A1 (0.57) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL9301181 0.74 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL19613863 0.74 LMNA (0.69) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL13230136 0.74 PKM (0.60) ALDH1A1LMNAKDM4ECYP2C9EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT ALDH1A1 433/4885LMNA 2198/4885KDM4E 2142/4885

“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.