SCHEMBL6793418

SCHEMBL6793418

CC(C)C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.57
SLC1A2 P43004 1/20 0.57
SLC1A1 P43005 1/20 0.57
ALDH1A1 P00352 1/20 0.56
CYP2C19 P33261 1/20 0.56
NTSR1 P30989 1/20 0.56
KDM4E B2RXH2 2/20 0.53
ADAM17 P78536 1/20 0.51
MMP2 P08253 3/20 0.50
MMP1 P03956 2/20 0.50
MMP9 P14780 2/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP13 P45452 1/20 0.50
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
TSHR P16473 1/20 0.47
ANPEP P15144 1/20 0.46
USP30 Q70CQ3 1/20 0.46
HCRTR1 O43613 1/20 0.46

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
SCHEMBL7064240 1.00 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ALDH1A1CYP2C19
SCHEMBL15251811 1.00 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ALDH1A1CYP2C19
Hydroxyamine SCHEMBL7169190 0.88 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1ALDH1A1CYP2C19
SCHEMBL7348701 0.85 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1MMP2MMP1
SCHEMBL7348707 0.85 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1MMP2MMP1
SCHEMBL7401318 0.84 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL5840519 0.84 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1ALDH1A1CYP2C19
SCHEMBL27575200 0.84 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1ALDH1A1CYP2C19
SCHEMBL8684370 0.84 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6499290 0.83 SLC1A3 (0.62) SLC1A3SLC1A2SLC1A1ALDH1A1CYP2C19

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 SLC1A3 2371/4885SLC1A2 2530/4885SLC1A1 2208/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV SLC1A3 2371/4885SLC1A2 2530/4885SLC1A1 2208/4885

“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.