SCHEMBL289574

SCHEMBL289574

O=C(O)[C@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.56
CAPN1 P07384 1/20 0.53
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.50
ITGB1 P05556 2/20 0.49
ITGA4 P13612 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 2/20 0.48
GYS1 P13807 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP3A4 P08684 1/20 0.48
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
ALOX15 P16050 1/20 0.47
OPRL1 P41146 1/20 0.47

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
SCHEMBL288651 1.00 P2RX7 (0.56) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL288652 1.00 P2RX7 (0.56) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL1612123 0.91 CAPN1 (0.63) P2RX7CAPN1HCRTR1HCRTR2
SCHEMBL288455 0.91 CAPN1 (0.63) P2RX7CAPN1HCRTR1HCRTR2
SCHEMBL1162700 0.91 P2RX7 (0.54) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL1162612 0.91 P2RX7 (0.54) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL28270409 0.91 P2RX7 (0.54) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL5741011 0.90 KMT2A (0.54) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL19975206 0.88 P2RX7 (0.54) P2RX7KMT2AGAAALDH1A1HCRTR1
SCHEMBL19975137 0.88 P2RX7 (0.54) P2RX7CAPN1KMT2AGAAITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US claimed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US claimed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN claimed
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
US-6348477-B1 SUBSTITUTED PHENYL THIAZOLE DERIVATIVES AS VIRICIDES BOEHRINGER INGELHEIM(CANADA) LTD. (CA) 2002-02-19 US disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
US-6288091-B1 COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX BOEHRINGER INGELHEIM LTD. (CA) 2001-09-11 US disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 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 (11 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 P2RX7 2958/4885CAPN1 3/4885KMT2A 4418/4885
US-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ P2RX7 1179/4885CAPN1 105/4885KMT2A 2920/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C P2RX7 564/4885CAPN1 1555/4885KMT2A 4177/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 P2RX7 2213/4885CAPN1 4/4885KMT2A 4469/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP P2RX7 2406/4885CAPN1 191/4885KMT2A 1833/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 P2RX7 2958/4885CAPN1 3/4885KMT2A 4418/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE P2RX7 712/4885CAPN1 86/4885KMT2A 2410/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ P2RX7 1179/4885CAPN1 105/4885KMT2A 2920/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ P2RX7 1179/4885CAPN1 105/4885KMT2A 2920/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885CAPN1 1497/4885KMT2A 4031/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ P2RX7 1179/4885CAPN1 105/4885KMT2A 2920/4885

“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.