SCHEMBL11976868

SCHEMBL11976868

O=CCNS(=O)(=O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.55
MMP12 P39900 3/20 0.55
MMP13 P45452 3/20 0.55
MMP1 P03956 1/20 0.55
MMP7 P09237 1/20 0.55
IDO1 P14902 1/20 0.53
PTGES2 Q9H7Z7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA2 P00918 2/20 0.43
POLB P06746 1/20 0.42
GLO1 Q04760 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL13281777 0.83 CA2 (0.57) MMP8MMP13MMP1KMT2ACA2
SCHEMBL15754219 0.79 L3MBTL1 (0.64) MMP8MMP12MMP13MMP1MMP7
SCHEMBL3836194 0.78 MMP8 (0.58) MMP8MMP12MMP13MMP1MMP7
SCHEMBL426661 0.78 IDO1 (0.56) MMP8MMP12MMP13MMP1MMP7
SCHEMBL6488752 0.77 IDO1 (0.63) MMP8MMP12MMP13MMP1MMP7
SCHEMBL8907383 0.75 MEN1 (0.60) MMP8MMP12MMP13MMP1MMP7
SCHEMBL4170793 0.75 MMP12 (0.82) MMP8MMP12MMP13MMP1MMP7
SCHEMBL9002519 0.75 MMP8 (0.59) MMP8MMP12MMP13MMP1MMP7
SCHEMBL19798388 0.74 MMP8 (0.54) MMP8MMP12MMP13MMP1MMP7
SCHEMBL8987446 0.73 IDO1 (0.59) MMP8MMP12MMP13MMP1MMP7

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
EP-2316832-B1 Cyclopamine analogues and methods of use thereof INFINITY PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-8236956-B2 Cyclopamine analogues and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2012-08-07 US disclosed
US-20110166353-A1 Cyclopamine Analogues and Methods of Use Thereof ROYALTY SECURITY, LLC 2011-07-07 US disclosed
US-7875628-B2 Anticancer agents; psoriasis; prevent activation of hedgehog gene passageways INFINITY DISCOVERY, INC. (US) 2011-01-25 US disclosed
US-7875628-B2 Anticancer agents; psoriasis; prevent activation of hedgehog gene passageways INFINITY DISCOVERY, INC. (US) 2011-01-25 US disclosed
US-20080269272-A1 CYCLOPAMINE ANALOGUES AND METHODS OF USE THEREOF ROYALTY SECURITY, LLC 2008-10-30 US disclosed
US-20080269272-A1 CYCLOPAMINE ANALOGUES AND METHODS OF USE THEREOF ROYALTY SECURITY, LLC 2008-10-30 US disclosed
US-7407967-B2 Cyclopamine analogues and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-7407967-B2 Cyclopamine analogues and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-20070191410-A1 CYCLOPAMINE ANALOGUES AND METHODS OF USE THEREOF ROYALTY SECURITY, LLC 2007-08-16 US disclosed
US-20070191410-A1 CYCLOPAMINE ANALOGUES AND METHODS OF USE THEREOF ROYALTY SECURITY, LLC 2007-08-16 US disclosed
US-7230004-B2 Cyclopamine analogues and methods of use thereof INFINITY DISCOVERY, INC. (US) 2007-06-12 US disclosed
US-7230004-B2 Cyclopamine analogues and methods of use thereof INFINITY DISCOVERY, INC. (US) 2007-06-12 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-20070191410-A1 CYCLOPAMINE ANALOGUES AND METHODS OF USE THEREOF SHH, SMO, GLI1 MMP8 4136/4885MMP12 3411/4885MMP13 3746/4885
US-20110166353-A1 Cyclopamine Analogues and Methods of Use Thereof SHH, SMO, GLI1 MMP8 4136/4885MMP12 3411/4885MMP13 3746/4885
US-20080269272-A1 CYCLOPAMINE ANALOGUES AND METHODS OF USE THEREOF SHH, SMO, GLI1 MMP8 4136/4885MMP12 3411/4885MMP13 3746/4885

“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.