SCHEMBL10162271

SCHEMBL10162271

CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)OCO5)nc4c(F)cnn34)(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 5/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.43
GALR3 O60755 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 2/20 0.42
CRHBP P24387 1/20 0.42
RECQL P46063 1/20 0.42
CRHR2 Q13324 1/20 0.42
POLB P06746 3/20 0.41
HSD17B10 Q99714 2/20 0.41
APOBEC3A P31941 1/20 0.41
ESR2 Q92731 1/20 0.41
APOBEC3G Q9HC16 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
SCHEMBL10166995 0.93 HPGD (0.44) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL10166767 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL10162218 0.89 MMP13 (0.46) ALDH1A1KDM4EHPGDMAPK1LMNA
SCHEMBL10162221 0.88 MMP13 (0.43) ALDH1A1MAPK1LMNAMAPTTP53
SCHEMBL10162205 0.88 MMP13 (0.46) ALDH1A1HPGDMAPK1LMNAL3MBTL1
SCHEMBL13161211 0.87 MMP13 (0.46) ALDH1A1KMT2AADAMTS4MMP3MMP13
SCHEMBL10162209 0.87 MMP13 (0.44) HPGDMAPK1ADAMTS4MMP3MMP13
SCHEMBL10162275 0.86 KLKB1 (0.41) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL10162233 0.86 MMP13 (0.42) ALDH1A1KDM4EHPGDMAPK1LMNA
SCHEMBL10162222 0.86 MMP13 (0.43) ALDH1A1KDM4EHPGDMAPK1LMNA

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 ALDH1A1 1806/4885KDM4E 2058/4885KMT2A 3548/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885KMT2A 3548/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885KMT2A 3548/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885KMT2A 3548/4885

“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.