SCHEMBL6801153

SCHEMBL6801153

C[C@@H](C(=O)O)N(C(=O)N1CCOCC1)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.45
AKR1C3 P42330 1/20 0.45
MGLL Q99685 1/20 0.43
EPAS1 Q99814 1/20 0.42
PHGDH O43175 1/20 0.42
TSHR P16473 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6799660 0.82 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2KMT2APHGDH
SCHEMBL7445245 0.82 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2AAKR1C3
SCHEMBL7539922 0.76 CTSS (0.62) ALDH1A1
SCHEMBL6800181 0.75 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2KMT2AAKR1C3
SCHEMBL6800724 0.74 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KMT2AAKR1C3PHGDH
SCHEMBL6795518 0.70 MAPT (0.57) ALDH1A1SMN1; SMN2KMT2AAKR1C3MGLL
SCHEMBL27260204 0.68 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AHSD17B10GAA
SCHEMBL829847 0.68 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL7448539 0.68 ALDH1A1 (0.43) ALDH1A1HPGDKMT2ALMNA
SCHEMBL7448533 0.68 ALDH1A1 (0.43) ALDH1A1HPGDKMT2ALMNA

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
JP-2002538151-A 2002-11-12 JP claimed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 US claimed
EP-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 EP claimed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 WO claimed
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 ALDH1A1 1591/4885HPGD 1552/4885SMN1; SMN2 4257/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV ALDH1A1 1591/4885HPGD 1552/4885SMN1; SMN2 4257/4885

“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.