Sugi Predict

Sugi Predict / Compounds / SCHEMBL6803048

SCHEMBL6803048

SCHEMBL6803048

NC(=O)c1ccccc1-c1nc(-c2ccccc2)oc1C(=O)CNC(=O)[CH]CC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ BCAT2 O15382 1/20 0.34
▸ CD38 P28907 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ F2RL1 P55085 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ IKBKB O14920 1/20 0.32

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
SCHEMBL6800778 0.79 RAB9A (0.35) RAB9ANPC1ALDH1A1KMT2AKDM4E
SCHEMBL7238073 0.75 F2RL1 (0.37) RAB9ANPC1MAPTCD38ALDH1A1
SCHEMBL6802381 0.73 CNR1 (0.37) LMNA
SCHEMBL6798235 0.71 RAB9A (0.36) RAB9ANPC1ALDH1A1KMT2AKDM4E
SCHEMBL6799108 0.70 GAA (0.37) MAPTALDH1A1KDM4EHSD17B10IKBKB
SCHEMBL6799439 0.69 MAPT (0.39) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL6807013 0.67 F2RL1 (0.38) F2RL1
SCHEMBL7361087 0.65 RAB9A (0.34) RAB9AALDH1A1LMNAIKBKB
SCHEMBL6806965 0.65 RAB9A (0.38) RAB9ANPC1ALDH1A1KMT2AKDM4E
SCHEMBL4070760 0.65 RAB9A (0.64) RAB9ANPC1MAPTALDH1A1KMT2A

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-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 — — US claimed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 — — US 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

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 RAB9A 256/4885NPC1 239/4885MAPT 4319/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV RAB9A 256/4885NPC1 239/4885MAPT 4319/4885

“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.