SCHEMBL7032673

SCHEMBL7032673

CC(C)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7240741 0.85 ALOX15 (0.44) ALOX15TSHRCASP1L3MBTL1NPC1
SCHEMBL6463431 0.83 CTSL (0.56)
SCHEMBL6803362 0.82 ALOX15 (0.49) ALOX15TSHRCASP1L3MBTL1NPC1
SCHEMBL6803359 0.81 ALOX15 (0.47) ALOX15TSHRCASP1L3MBTL1NPC1
SCHEMBL6802148 0.80 NPC1 (0.57) ALOX15TSHRCASP1L3MBTL1NPC1
SCHEMBL30100560 0.80 ALOX15 (0.55) ALOX15TSHRCASP1L3MBTL1NPC1
SCHEMBL7028150 0.80 CTSS (0.61) NPC1RAB9ASMN1; SMN2
SCHEMBL6802848 0.80 CTSS (0.61) NPC1RAB9ASMN1; SMN2
SCHEMBL6807038 0.80 CTSS (0.61) NPC1RAB9ASMN1; SMN2
SCHEMBL6467453 0.80 MMP2 (0.55) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALOX15 1944/4885TSHR 2190/4885CASP1 79/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV ALOX15 1944/4885TSHR 2190/4885CASP1 79/4885

“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.