SCHEMBL4730140

SCHEMBL4730140

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CA2 P00918 9/20 0.40
CA1 P00915 8/20 0.40
CA9 Q16790 8/20 0.40
CA12 O43570 5/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
ALDH1A1 P00352 2/20 0.38
CA14 Q9ULX7 3/20 0.38
HSD17B10 Q99714 1/20 0.38
TACR1 P25103 1/20 0.37
CA7 P43166 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
SCHEMBL4784439 0.91 TACR1 (0.44) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL12678677 0.89 GPR119 (0.41) LMNACA2CA1CA9CA12
SCHEMBL4735023 0.88 TACR1 (0.44) KMT2AMEN1ALDH1A1TACR1
SCHEMBL4735239 0.87 RXFP1 (0.42) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL12541714 0.86 LMNA (0.39) LMNACA2CA1CA9CA12
SCHEMBL4732930 0.86 PDE4A (0.50) KMT2AMEN1TACR1
SCHEMBL4730384 0.86 KMT2A (0.40) LMNAKMT2AMEN1ALDH1A1TACR1
SCHEMBL4732314 0.86 IDO1 (0.39) KMT2AMEN1ALDH1A1TACR1
SCHEMBL4893533 0.86 GPR119 (0.37) LMNAKMT2AMEN1MMP1MMP2
SCHEMBL4729637 0.85 MEN1 (0.46) KMT2AMEN1ALDH1A1TACR1

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 8 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-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO 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

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 LMNA 4794/4885CA2 889/4885CA1 1654/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX LMNA 855/4885CA2 3492/4885CA1 1622/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO LMNA 4794/4885CA2 889/4885CA1 1654/4885
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 LMNA 4338/4885CA2 1504/4885CA1 1446/4885

“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.