SCHEMBL6795518

SCHEMBL6795518

C[C@@H](C(=O)O)N(C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
AKR1C3 P42330 1/20 0.50
PHGDH O43175 2/20 0.49
KDM4E B2RXH2 4/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
AVPR1A P37288 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNJ1 P48048 1/20 0.42
GAA P10253 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
SCHEMBL7445245 0.83 ALDH1A1 (0.57) AKR1C3PHGDHLMNASMN1; SMN2ALDH1A1
SCHEMBL6800724 0.82 SMN1; SMN2 (0.46) AKR1C3PHGDHSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7782935 0.80 ALDH1A1 (0.47) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL6800181 0.76 ALDH1A1 (0.50) AKR1C3PHGDHKDM4ELMNASMN1; SMN2
SCHEMBL27571004 0.71 L3MBTL1 (0.47) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL8371983 0.71 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL8373359 0.71 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL11648038 0.71 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL520702 0.70 KDM4E (0.69) MAPTAKR1C3PHGDHKDM4ERAB9A
SCHEMBL6801153 0.70 ALDH1A1 (0.49) AKR1C3PHGDHLMNASMN1; SMN2MGLL

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 MAPT 4319/4885AKR1C3 2100/4885PHGDH 3087/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV MAPT 4319/4885AKR1C3 2100/4885PHGDH 3087/4885

“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.