SCHEMBL844012

SCHEMBL844012

Cc1cc(O)nc(SCn2nc3ccccc3c2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 2/20 0.38
GALR3 O60755 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ESR2 Q92731 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 2/20 0.34
MPO P05164 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL13066887 0.88 GAA (0.43) GAAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL13066881 0.86 GAA (0.42) GAAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL13058881 0.81 LMNA (0.41) GAAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL13066874 0.78 HSD17B10 (0.40) GAAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL13066873 0.73 HPGD (0.36) GAAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL859693 0.73 LMNA (0.38) HPGDALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL21338132 0.72 ALDH1A1 (0.37) GAAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL858849 0.72 LMNA (0.42) ALDH1A1KDM4ETSHRLMNACYP1A2
SCHEMBL13058956 0.71 SMN1; SMN2 (0.41) HPGDALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL13067242 0.71 MEN1 (0.45) HPGDALDH1A1SMN1; SMN2RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
EP-2432776-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS Chlorion Pharma, Inc. (CA) 2012-03-28 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 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 (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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP GAA 1107/4885HPGD 342/4885ALDH1A1 577/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP GAA 1107/4885HPGD 342/4885ALDH1A1 577/4885

“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.