SCHEMBL10166767

SCHEMBL10166767

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 2/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP3 P08254 1/20 0.42
MMP13 P45452 1/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.41
GALR3 O60755 1/20 0.41
TP53 P04637 1/20 0.41
CRHBP P24387 1/20 0.41
RECQL P46063 1/20 0.41
CRHR2 Q13324 1/20 0.41
POLB P06746 1/20 0.41
APOBEC3A P31941 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
SCHEMBL10162271 0.93 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ENPSR1KMT2A
SCHEMBL10166995 0.92 HPGD (0.44) ALDH1A1HPGDKDM4ENPSR1KMT2A
SCHEMBL10165628 0.90 MMP13 (0.47) ALDH1A1HPGDLMNAMAPK1ADAMTS4
SCHEMBL8253199 0.89 ADAMTS4 (0.44) ALDH1A1NPSR1KMT2ALMNAMAPK1
SCHEMBL10209194 0.88 HPGD (0.42) ALDH1A1HPGDKDM4ENPSR1KMT2A
SCHEMBL8253372 0.88 MMP13 (0.47) ALDH1A1HPGDLMNAMAPK1ADAMTS4
SCHEMBL10208660 0.87 MMP13 (0.47) ALDH1A1KMT2AADAMTS4MMP3MMP13
SCHEMBL8246532 0.87 MMP13 (0.45) HPGDMAPK1ADAMTS4MMP3MMP13
SCHEMBL10166755 0.87 KLKB1 (0.41) ALDH1A1HPGDKDM4ENPSR1KMT2A
SCHEMBL13377748 0.86 ADAMTS4 (0.38) ALDH1A1HPGDKDM4ENPSR1KMT2A

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 8 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-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-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 ALDH1A1 1806/4885HPGD 313/4885KDM4E 2058/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ALDH1A1 1806/4885HPGD 313/4885KDM4E 2058/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885HPGD 313/4885KDM4E 2058/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885HPGD 313/4885KDM4E 2058/4885

“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.