SCHEMBL10162330

SCHEMBL10162330

CC(=O)c1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)nc3ncnn23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
ALK Q9UM73 1/20 0.37
MAPK1 P28482 3/20 0.37
PHGDH O43175 2/20 0.37
PPARG P37231 2/20 0.36
PDE2A O00408 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER4 P35408 1/20 0.36
MMP10 P09238 1/20 0.35
MMP9 P14780 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
SCHEMBL10162335 0.93 CACNA1G (0.43) MMP13CACNA1GCACNA1HCACNA1IPDE2A
SCHEMBL10162340 0.91 MMP13 (0.48) MMP13CACNA1GCACNA1HCACNA1IPHGDH
SCHEMBL10162454 0.90 MMP13 (0.42) MMP13MAPK1PDE2AHDAC3HDAC1
SCHEMBL10165604 0.85 MMP13 (0.46) MMP13MAPK1PDE2AHDAC3HDAC1
SCHEMBL8253135 0.85 MMP13 (0.53) MMP13PHGDHPTGER4MMP10MMP9
SCHEMBL10165797 0.84 MMP13 (0.46) MMP13MAPK1PDE2AHDAC3HDAC1
SCHEMBL10165591 0.84 MMP13 (0.51) MMP13CACNA1GCACNA1HCACNA1IPDE2A
SCHEMBL10165718 0.83 MMP13 (0.37) MMP13CACNA1GCACNA1HCACNA1IALK
SCHEMBL8256059 0.83 MMP13 (0.47) MMP13CACNA1GCACNA1HCACNA1IMAPK1
SCHEMBL10162458 0.82 MMP13 (0.44) MMP13CACNA1GCACNA1HCACNA1IPTGER4

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-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885CACNA1G 2170/4885CACNA1H 2465/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885CACNA1G 2170/4885CACNA1H 2465/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885CACNA1G 2170/4885CACNA1H 2465/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885CACNA1G 2170/4885CACNA1H 2465/4885

“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.