SCHEMBL4784432

SCHEMBL4784432

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
MAPK14 Q16539 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ATM Q13315 1/20 0.41
F10 P00742 1/20 0.40
LRRK2 Q5S007 1/20 0.40
VCP P55072 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
PTGS2 P35354 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4730138 0.91 MAPK14 (0.42) MAPK14MEN1KMT2AATMMMP1
SCHEMBL4735022 0.89 MAPK14 (0.46) TACR1MAPK14MEN1KMT2AVCP
SCHEMBL4732310 0.89 MAPK14 (0.41) TACR1MAPK14MEN1KMT2AATM
SCHEMBL4893527 0.89 MAPK14 (0.41) TACR1MAPK14MEN1KMT2AATM
SCHEMBL4730898 0.88 TACR1 (0.46) TACR1MEN1KMT2AMMP1MMP2
SCHEMBL4735236 0.88 MAPK14 (0.45) MAPK14MEN1KMT2AVCPMMP1
SCHEMBL4730383 0.87 MAPK14 (0.45) TACR1MAPK14MEN1KMT2AF10
SCHEMBL4729635 0.86 MAPK14 (0.48) TACR1MAPK14MEN1KMT2AALDH1A1
SCHEMBL4732929 0.85 PDE4A (0.49) TACR1MAPK14F10VCPSMN1; SMN2
SCHEMBL4732153 0.85 MAPK14 (0.45) TACR1MAPK14

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-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
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO 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 TACR1 1166/4885MAPK14 1590/4885MEN1 2815/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX TACR1 1194/4885MAPK14 2476/4885MEN1 594/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO TACR1 1166/4885MAPK14 1590/4885MEN1 2815/4885
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 TACR1 837/4885MAPK14 1080/4885MEN1 3071/4885

“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.