SCHEMBL1607014

SCHEMBL1607014

CC(C)C[C@@H]([C]=O)NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.56
CTSL P07711 5/20 0.56
CTSS P25774 3/20 0.56
CTSK P43235 2/20 0.56
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.49
PSMB5 P28074 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
CTRB1 P17538 1/20 0.44

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
SCHEMBL27482719 0.89 NR1H4 (0.46) CTSBCTSLCTSSCTSKALDH1A1
SCHEMBL7465041 0.87 MMP2 (0.54) CTSBCTSLCTSSCTSKALDH1A1
SCHEMBL7462265 0.84 CTSL (0.56) CTSBCTSLCTSSCTSKALDH1A1
SCHEMBL27515259 0.84 MAOA (0.47) ALDH1A1HPGDMEN1KMT2A
SCHEMBL7472149 0.83 CTSK (0.52) CTSKRAB9AMEN1KMT2A
SCHEMBL7378621 0.80 MAPT (0.45) CTSBCTSLCTSSCTSKALDH1A1
SCHEMBL13753279 0.80 MLYCD (0.64) CTSBCTSLCTSSCTSKALDH1A1
SCHEMBL13753268 0.80 MLYCD (0.64) CTSBCTSLCTSSCTSKALDH1A1
SCHEMBL40780 0.79 CTRB1 (0.58) CTSBCTSLCTSSCTSKRAB9A
SCHEMBL40779 0.79 CTRB1 (0.58) CTSBCTSLCTSSCTSKRAB9A

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562842-B2 Osteoporosis, oral diseases SMITHKLINE BEECHAM CORPORATION 2003-05-13 US claimed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 US claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 US claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
CN-1341590-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN claimed
CN-1255119-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-05-31 CN claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP claimed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP claimed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP claimed
CN-1207095-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-02-03 CN claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 WO claimed
EP-0253882-A4 ACYLATED CYANAMIDE COMPOSITION. UNIV MINNESOTA (US) 1990-06-27 EP claimed
US-4870056-A DETERRENTS OF ALCOHOL ABUSE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1989-09-26 US claimed
EP-0253882-A1 ACYLATED CYANAMIDE COMPOSITION THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-01-27 EP claimed
WO-1987004348-A1 ACYLATED CYANAMIDE COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1987-07-30 WO claimed
US-9026372-B2 Methods for providing a system of care for a high-dose oxazaphosphorine drug regimen ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
EP-0253882-A1 ACYLATED CYANAMIDE COMPOSITION THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-01-27 EP disclosed
WO-1987004348-A1 ACYLATED CYANAMIDE COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1987-07-30 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 (3 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ CTSB 13/4885CTSL 4/4885CTSS 10/4885
US-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSB 4/4885CTSL 14/4885CTSS 8/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSB 4/4885CTSL 14/4885CTSS 8/4885

“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.