SCHEMBL4893533

SCHEMBL4893533

COc1ccc(-c2ccc(CS(C)(=O)=O)cc2)cc1CNC1CCC(N(C)C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TACR1 P25103 5/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 3/20 0.35
HDAC1 Q13547 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 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
SCHEMBL12678606 0.89 GPR119 (0.43) GPR119MEN1KMT2ATACR1MMP1
SCHEMBL4784439 0.89 TACR1 (0.44) MEN1KMT2ATACR1MMP1MMP2
SCHEMBL4735023 0.87 TACR1 (0.44) MEN1KMT2ATACR1KDM4EHTT
SCHEMBL4732314 0.87 IDO1 (0.39) GPR119MEN1KMT2ATACR1KDM4E
SCHEMBL4735239 0.86 RXFP1 (0.42) MEN1KMT2ATACR1MMP1MMP2
SCHEMBL4730140 0.86 LMNA (0.42) MEN1KMT2ATACR1MMP1MMP2
SCHEMBL4730384 0.85 KMT2A (0.40) MEN1KMT2ATACR1KDM4EHTT
SCHEMBL4729637 0.84 MEN1 (0.46) MEN1KMT2ATACR1KDM4EHTT
SCHEMBL4893527 0.84 MAPK14 (0.41) MEN1KMT2ATACR1MMP1MMP2
SCHEMBL4732157 0.83 PPARA (0.43) MEN1KMT2ATACR1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-20080193423-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-07-31 US disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 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 (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-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO GPR119 1346/4885MEN1 2815/4885KMT2A 692/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX GPR119 2322/4885MEN1 594/4885KMT2A 3074/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO GPR119 1346/4885MEN1 2815/4885KMT2A 692/4885
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO GPR119 255/4885MEN1 3071/4885KMT2A 858/4885

“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.