Sugi Predict

Sugi Predict / Compounds / SCHEMBL6800330

SCHEMBL6800330

SCHEMBL6800330

CC(C)Cc1nc(-c2cccnc2)oc1C(=O)CNC(=O)C(N)CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.45
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ IKBKB O14920 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ LARS1 Q9P2J5 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ ATAD2 Q6PL18 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PPARG P37231 1/20 0.35

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
SCHEMBL6806971 0.87 AAK1 (0.43) AAK1KDM4EALDH1A1NPC1RAB9A
SCHEMBL6798242 0.86 RAB9A (0.39) AAK1KDM4EALDH1A1NPC1RAB9A
SCHEMBL6803005 0.82 ALDH1A1 (0.36) AAK1KDM4EALDH1A1HPGDCTSL
SCHEMBL6800322 0.80 KDM4E (0.38) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL6807134 0.79 CTSL (0.44) AAK1CTSLPOLBPPARGPPARA
SCHEMBL6801170 0.79 HDAC1 (0.39) AAK1KDM4EALDH1A1NPC1RAB9A
SCHEMBL6802384 0.76 BMP1 (0.38) AAK1ALDH1A1RAB9AIKBKB
SCHEMBL6801357 0.70 CTSL (0.42) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL6798235 0.70 RAB9A (0.36) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL7357734 0.70 RAB9A (0.39) KDM4EALDH1A1NPC1RAB9AHPGD

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 5 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

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 AAK1 2729/4885KDM4E 4231/4885ALDH1A1 1591/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV AAK1 2729/4885KDM4E 4231/4885ALDH1A1 1591/4885

“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.