SCHEMBL10167436

SCHEMBL10167436

CNC(=O)c1cc(C(=O)N[C@H]2CCc3c2ccc(C(=O)O)c3C)n2nccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.64
MMP3 P08254 2/20 0.64
MMP13 P45452 2/20 0.64
MMP8 P22894 1/20 0.64
MMP12 P39900 1/20 0.64
BRD4 O60885 3/20 0.34
KLKB1 P03952 3/20 0.33
DHODH Q02127 1/20 0.33
CCNT1 O60563 2/20 0.33
CDK1 P06493 2/20 0.33
CDK4 P11802 2/20 0.33
CCNA2 P20248 2/20 0.33
CCND1 P24385 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CDK9 P50750 2/20 0.33
CCNA1 P78396 2/20 0.33
CDK3 Q00526 2/20 0.33
CDK6 Q00534 1/20 0.33
CDK5 Q00535 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
SCHEMBL10167401 0.91 ADAMTS4 (0.62) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167400 0.91 ADAMTS4 (0.62) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167810 0.90 ADAMTS4 (0.61) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167418 0.90 ADAMTS4 (0.61) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167412 0.90 ADAMTS4 (0.61) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167723 0.89 ADAMTS4 (0.60) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167643 0.89 ADAMTS4 (0.62) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL14451492 0.89 ADAMTS4 (0.60) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167386 0.89 ADAMTS4 (0.66) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167641 0.89 ADAMTS4 (0.62) ADAMTS4MMP3MMP13MMP8MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 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-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-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-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
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 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885

“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.