SCHEMBL84297

SCHEMBL84297

Fc1ccc2scc(I)c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
CA2 P00918 1/20 0.44
TP53 P04637 5/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MPI P34949 5/20 0.36
PMM2 O15305 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
G6PD P11413 1/20 0.36
PHOSPHO1 Q8TCT1 1/20 0.34
TLR9 Q9NR96 1/20 0.34
CYP2A6 P11509 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL14048574 0.83 MAPT (0.44) MAPTCA2TP53THRBLMNA
SCHEMBL413347 0.77 MAPT (0.45) MAPTCA2TP53THRBLMNA
SCHEMBL2095397 0.75 MAPT (0.44) MAPTCA2TP53THRBLMNA
SCHEMBL4730693 0.75 CA2 (0.47) MAPTCA2TP53THRBLMNA
SCHEMBL545092 0.75 CYP2A6 (0.60) MAPTCA2TP53THRBLMNA
SCHEMBL4877866 0.75 CYP2A6 (0.60) MAPTCA2TP53THRBLMNA
SCHEMBL19099909 0.75 MAPT (0.44) MAPTCA2TP53THRBLMNA
SCHEMBL4153169 0.72 MAPT (0.42) MAPTCA2TP53THRBLMNA
SCHEMBL25399747 0.71 LIMK1 (0.38) MAPTLMNA
SCHEMBL2114297 0.71 CA2 (0.55) MAPTCA2TP53THRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US disclosed
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US disclosed
US-8129425-B2 Contacting cell with hedgehog antagonist; moderator of cell proliferative, cell differentiation CURIS, INC. (US) 2012-03-06 US disclosed
US-8129425-B2 Contacting cell with hedgehog antagonist; moderator of cell proliferative, cell differentiation CURIS, INC. (US) 2012-03-06 US disclosed
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 US disclosed
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 US disclosed
EP-1272168-B2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS INC (US) 2009-10-28 EP disclosed
US-20080207740-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) 2008-08-28 US disclosed
US-20080207740-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) 2008-08-28 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 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 (3 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-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 MAPT 4510/4885CA2 2682/4885TP53 899/4885
US-20080207740-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 MAPT 300/4885CA2 1701/4885TP53 655/4885
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 MAPT 4510/4885CA2 2682/4885TP53 899/4885

“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.