SCHEMBL1058883

SCHEMBL1058883

O=C(NC(CO)CC1CCCCC1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 3/20 0.57
▸ CTSK P43235 3/20 0.57
▸ CTSS P25774 2/20 0.57
▸ CTSL P07711 2/20 0.57
▸ CTRB1 P17538 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ CASP1 P29466 2/20 0.50
▸ EPHX1 P07099 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL9402892 1.00 CTSB (0.57) CTSBCTSKCTSSCTSLCTRB1
SCHEMBL5656036 0.88 CASP1 (0.55) CTSBCTSKCTSSCTSLCTRB1
SCHEMBL10254007 0.86 CYP1A2 (0.48) CTSBCTSKCTSSCTSLCTRB1
SCHEMBL18576284 0.85 CTSB (0.52) CTSBCTSKCTSSCTSLCTRB1
SCHEMBL8759866 0.84 CTSB (0.54) CTSBCTSKCTSSCTSLALDH1A1
SCHEMBL18576842 0.84 CTSK (0.54) CTSBCTSKCTSSCTSLCTRB1
SCHEMBL22225460 0.84 CTSK (0.61) CTSBCTSKCTSSCTSLALDH1A1
SCHEMBL28546631 0.84 CTSK (0.67) CTSBCTSKCTSSCTSLALDH1A1
SCHEMBL4622697 0.84 CTSK (0.67) CTSBCTSKCTSSCTSLALDH1A1
SCHEMBL4800376 0.84 CTSK (0.67) CTSBCTSKCTSSCTSLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 — — US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 — — EP disclosed
US-8691814-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-04-08 — — US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 — — US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 — — US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 — — US disclosed
US-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 — — US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 — — US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 — — US disclosed
EP-1474425-B9 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2008-07-02 — — EP disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 — — US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 — — US disclosed
EP-1474425-B1 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2006-05-24 — — EP disclosed
US-20050124649-A1 Deazapurines and uses thereof EISAI CO., LTD (JP) 2005-06-09 — — US disclosed
EP-1474425-A1 DEAZAPURINES AND USES THEREOF Eisai Co. Ltd. (JP) 2004-11-10 — — EP disclosed
US-20040186127-A1 Novel deazapurines and uses thereof EISAI CO., LTD. (JP) 2004-09-23 — — US disclosed
WO-2004063336-A2 USES OF DEAZAPURINES FOR THE TREATMENT OF REPERFUSION INJURIES, OSTEOPOROSIS AND/OR BONE METASTASIS EISAI CO. LTD. (JP) 2004-07-29 — — WO disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 — — 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 (6 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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 CTSB 3720/4885CTSK 4501/4885CTSS 4441/4885
US-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 CTSB 3731/4885CTSK 4516/4885CTSS 4454/4885
US-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS CTSB 2658/4885CTSK 2891/4885CTSS 2246/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS CTSB 2658/4885CTSK 2891/4885CTSS 2246/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 CTSB 2656/4885CTSK 3354/4885CTSS 3905/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP CTSB 1818/4885CTSK 2500/4885CTSS 2563/4885

“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.

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