SCHEMBL10165003

SCHEMBL10165003

CN(Cc1cc(C#N)ccc1F)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
NSD2 O96028 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL12162097 0.83 NSD2 (0.53) NSD2KMT2AMEN1CHRNB2CHRNB4
SCHEMBL16737740 0.78 CYP19A1 (0.48) PTGDR2KMT2AMEN1KDM4EALDH1A1
SCHEMBL10163693 0.78 KCNA5 (0.49) CTSLCTSBCTSSCTSK
SCHEMBL23000211 0.76 PTGDR2 (0.49) PTGDR2KMT2AMEN1ATMALDH1A1
SCHEMBL14357352 0.76 LTB4R (0.52) NSD2KMT2AMAOB
SCHEMBL13687204 0.75 CHRNB2 (0.61) KMT2AMEN1ALDH1A1CHRNB2CHRNB4
SCHEMBL23000169 0.75 PTGDR2 (0.58) PTGDR2KMT2AMEN1
SCHEMBL16744722 0.74 PTGDR2 (0.41) PTGDR2ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL10165146 0.73 MEN1 (0.44) PTGDR2KMT2AMEN1KDM4ECTSL
SCHEMBL25272366 0.73 TDP1 (0.49) PTGDR2KMT2AMEN1ALDH1A1CHRNB2

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 PTGDR2 1151/4885NSD2 3560/4885KMT2A 3548/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PTGDR2 1151/4885NSD2 3560/4885KMT2A 3548/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PTGDR2 1151/4885NSD2 3560/4885KMT2A 3548/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PTGDR2 1151/4885NSD2 3560/4885KMT2A 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.