SCHEMBL1145818

SCHEMBL1145818

Cc1cccc(C[S])c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
ACHE P22303 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
KIF11 P52732 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
PTGS2 P35354 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
PHF8 Q9UPP1 1/20 0.31
PKM P14618 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL4428644 0.82 MPO (0.38) MPOACHETAAR1CYP1A2CYP2A6
SCHEMBL13180051 0.79 MPO (0.39) MPOACHETAAR1CYP1A2CYP2A6
SCHEMBL6405866 0.79 TAAR1 (0.46) MPOACHETAAR1CYP1A2CYP2A6
SCHEMBL170934 0.79 GABRA1 (0.46) MPOACHETAAR1CYP1A2CYP2A6
SCHEMBL1145716 0.77 PDCD1 (0.44) MPOACHETAAR1CYP1A2CYP2A6
SCHEMBL1145821 0.77 IDO1 (0.38) MPOACHETAAR1CYP1A2CYP2A6
SCHEMBL1145714 0.77 MPO (0.38) MPOACHETAAR1CYP1A2CYP2A6
SCHEMBL8343195 0.77 MPO (0.38) MPOACHETAAR1CYP1A2CYP2A6
SCHEMBL172634 0.77 MPO (0.38) MPOACHETAAR1CYP1A2CYP2A6
SCHEMBL177422 0.77 MPO (0.38) MPOACHETAAR1CYP1A2CYP2A6

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 MPO 2634/4885ACHE 4286/4885TAAR1 4002/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 MPO 3036/4885ACHE 4597/4885TAAR1 343/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 MPO 2495/4885ACHE 4665/4885TAAR1 360/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR MPO 3678/4885ACHE 4530/4885TAAR1 244/4885

“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.