Sugi Predict

Sugi Predict / Compounds / SCHEMBL6802522

SCHEMBL6802522

SCHEMBL6802522

N#C[CH]COCc1cccc(Cl)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.38
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ IDO1 P14902 3/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ FEN1 P39748 1/20 0.32
▸ MRGPRX4 Q96LA9 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
SCHEMBL6802962 0.83 POLB (0.38) PBRM1POLBALDH1A1RAB9ANPC1
SCHEMBL6801262 0.83 KMT2A (0.36) PBRM1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL5759430 0.79 MEN1 (0.39) ALDH1A1RAB9ANPC1KMT2ALMNA
SCHEMBL6795938 0.75 ADRA1D (0.42) ALDH1A1KMT2AMEN1TSHR
SCHEMBL6802864 0.71 PARP1 (0.42) ALDH1A1MRGPRX4
SCHEMBL5545065 0.71 ALDH1A1 (0.47) PBRM1POLBALDH1A1RAB9ANPC1
SCHEMBL27701506 0.71 PNMT (0.55) PBRM1POLBALDH1A1RAB9ANPC1
SCHEMBL6796241 0.70 PARP10 (0.50) ALDH1A1KMT2A
SCHEMBL14527852 0.70 ALDH1A1 (0.45) PBRM1POLBALDH1A1RAB9ANPC1
SCHEMBL5740425 0.69 ALDH1A1 (0.41) PBRM1POLBALDH1A1NPC1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 — — 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 PBRM1 4695/4885POLB 1578/4885ALDH1A1 1591/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV PBRM1 4695/4885POLB 1578/4885ALDH1A1 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.