SCHEMBL1145353

SCHEMBL1145353

[CH2]SCc1cc(Cl)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 2/20 0.42
DHODH Q02127 2/20 0.40
IDO1 P14902 7/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 2/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HSPD1 P10809 1/20 0.39
HSPA5 P11021 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL11353946 0.83 CYP1A2 (0.69) CYP3A4CYP2C9CYP2C19CYP1A2MAPK1
SCHEMBL1145356 0.78 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2MAPK1
SCHEMBL1547586 0.75 TP53 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2MAPK1
SCHEMBL515040 0.73 CYP1A2 (0.53) CYP3A4CYP2C9CYP2C19CYP1A2MAPK1
SCHEMBL937350 0.72 TP53 (0.50) CYP3A4CYP2C9CYP2C19CYP1A2MAPK1
SCHEMBL16958244 0.71 TP53 (0.44) CYP3A4CYP2C9CYP2C19CYP1A2MAPK1
SCHEMBL13007592 0.71 IDO1 (0.75) CYP3A4CYP2C9CYP2C19CYP1A2IDO1
SCHEMBL15457419 0.71 IDO1 (0.51) CYP3A4CYP2C9CYP2C19CYP1A2MAPK1
SCHEMBL2375257 0.71 TP53 (0.39) CYP3A4CYP2C9CYP2C19CYP1A2MAPK1
SCHEMBL189771 0.70 TP53 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2MAPK1

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
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (4 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 CYP3A4 4164/4885CYP2C9 4554/4885CYP2C19 4653/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CYP3A4 4462/4885CYP2C9 3716/4885CYP2C19 2264/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CYP3A4 4493/4885CYP2C9 3992/4885CYP2C19 2492/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR CYP3A4 4363/4885CYP2C9 3709/4885CYP2C19 2655/4885

“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.