SCHEMBL3020718

SCHEMBL3020718

O=C(O)[C@@H](CC(=O)N1CCOCC1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.64
FKBP1A P62942 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 2/20 0.50
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
CACNA2D1 P54289 1/20 0.49
CACNA1B Q00975 1/20 0.49
CACNB1 Q02641 1/20 0.49

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
SCHEMBL3020716 1.00 PKM (0.64) PKMFKBP1AMEN1KMT2AALDH1A1
SCHEMBL3018376 0.78 CTSS (0.66) PKMFKBP1AMEN1KMT2ACTSL
SCHEMBL3018373 0.78 CTSS (0.66) PKMFKBP1AMEN1KMT2ACTSL
SCHEMBL3026362 0.77 CTSS (0.58) PKMFKBP1AMEN1KMT2AALDH1A1
SCHEMBL3026359 0.77 CTSS (0.58) PKMFKBP1AMEN1KMT2AALDH1A1
SCHEMBL524333 0.74 KDM4E (0.56) PKMFKBP1AALDH1A1NPC1SMN1; SMN2
SCHEMBL523656 0.74 KDM4E (0.56) PKMFKBP1AALDH1A1NPC1SMN1; SMN2
SCHEMBL524458 0.74 KDM4E (0.56) PKMFKBP1AALDH1A1NPC1SMN1; SMN2
SCHEMBL28305530 0.73 L3MBTL1 (0.61) MEN1KMT2AALDH1A1POLB
SCHEMBL14277853 0.73 CTSS (0.66) CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PKM 4326/4885FKBP1A 638/4885MEN1 3815/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PKM 4326/4885FKBP1A 638/4885MEN1 3815/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ PKM 4326/4885FKBP1A 638/4885MEN1 3815/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV PKM 4441/4885FKBP1A 1297/4885MEN1 4337/4885

“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.