SCHEMBL6801923

SCHEMBL6801923

CC[C@H](C)[C@H](NC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.49
CTSS P25774 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CAPN1 P07384 1/20 0.42
CNR2 P34972 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
SCHEMBL7345195 0.84 KMT2A (0.57) PKMSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7345198 0.84 KMT2A (0.57) PKMSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8346050 0.84 KMT2A (0.57) PKMSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6445944 0.84 SMN1; SMN2 (0.64) PKMSMN1; SMN2HTTALDH1A1CTSS
SCHEMBL5839241 0.84 SMN1; SMN2 (0.64) PKMSMN1; SMN2HTTALDH1A1CTSS
SCHEMBL24567550 0.79 SMN1; SMN2 (0.66) PKMSMN1; SMN2MEN1KMT2AHTT
SCHEMBL8359845 0.79 SMN1; SMN2 (0.66) PKMSMN1; SMN2MEN1KMT2AHTT
SCHEMBL10590434 0.77 SMN1; SMN2 (0.68) PKMSMN1; SMN2MEN1KMT2AHTT
SCHEMBL8658788 0.77 SMN1; SMN2 (0.68) PKMSMN1; SMN2MEN1KMT2AHTT
SCHEMBL6467989 0.77 SMN1; SMN2 (0.68) PKMSMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 US disclosed
EP-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 EP disclosed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 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 (2 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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV PKM 4457/4885SMN1; SMN2 4257/4885MEN1 2882/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV PKM 4457/4885SMN1; SMN2 4257/4885MEN1 2882/4885

“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.