Sugi Predict

Sugi Predict / Compounds / SCHEMBL5513719

SCHEMBL5513719

SCHEMBL5513719

CCC(C(=O)OC(C)(C)C)[C@](N)(O)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TNF P01375 1/20 0.36

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
SCHEMBL5466852 1.00 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5947396 0.89 RAB9A (0.38) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5947070 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5490461 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL3615182 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5522225 0.84 FAAH (0.43) TP53MAPTFAAHCES1
SCHEMBL3622707 0.84 FAAH (0.43) TP53MAPTFAAHCES1
SCHEMBL5730450 0.80 KMT2A (0.38) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5945966 0.72 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5461922 0.72 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10

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-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 — — US disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 — — EP disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 — — US disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 — — WO disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 — — US disclosed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 — — 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-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS RAB9A 1368/4885NPC1 284/4885SMN1; SMN2 4604/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS RAB9A 1089/4885NPC1 689/4885SMN1; SMN2 4338/4885

“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.