SCHEMBL8258339

SCHEMBL8258339

COC(=O)[C@H]1CC[C@@H](COS(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CYP2C9 P11712 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
ENPP2 Q13822 1/20 0.43
STAT3 P40763 1/20 0.42
TAS2R14 Q9NYV8 2/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL21987511 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL1482389 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL28338117 0.88 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL28338118 0.88 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL21822929 0.88 STAT3 (0.43) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL23387619 0.86 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL20501797 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL23387620 0.86 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C9L3MBTL1
SCHEMBL7032005 0.85 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9ENPP3
SCHEMBL26655167 0.85 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9ENPP3

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 12 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-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
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO 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 1806/4885KMT2A 3548/4885MEN1 3090/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KMT2A 3548/4885MEN1 3090/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KMT2A 3548/4885MEN1 3090/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KMT2A 3548/4885MEN1 3090/4885

“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.