SCHEMBL4893527

SCHEMBL4893527

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36
TACR1 P25103 1/20 0.36
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 0.35
BRD4 O60885 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4784432 0.89 TACR1 (0.43) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4735022 0.87 MAPK14 (0.46) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4732310 0.87 MAPK14 (0.41) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4735236 0.86 MAPK14 (0.45) MAPK14MEN1KMT2AALDH1A1MMP1
SCHEMBL4730138 0.86 MAPK14 (0.42) MAPK14MEN1KMT2AALDH1A1LMNA
SCHEMBL4730383 0.85 MAPK14 (0.45) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4729635 0.85 MAPK14 (0.48) MAPK14MEN1KMT2AALDH1A1TACR1
SCHEMBL4893533 0.84 GPR119 (0.37) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12542200 0.84 GPR119 (0.37) MEN1KMT2AMAPTTACR1MMP1
SCHEMBL4732929 0.84 PDE4A (0.49) MAPK14SMN1; SMN2TACR1PPARGPPARD

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 MAPK14 1590/4885MEN1 2815/4885KMT2A 692/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX MAPK14 2476/4885MEN1 594/4885KMT2A 3074/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO MAPK14 1590/4885MEN1 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 MAPK14 1080/4885MEN1 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.