SCHEMBL3221965

SCHEMBL3221965

CC(C)(C)C(C(=O)O)C(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.52
CTSS P25774 4/20 0.52
CTSB P07858 4/20 0.52
CTSK P43235 2/20 0.52
SYK P43405 1/20 0.51
CTRB1 P17538 2/20 0.50
ELANE P08246 1/20 0.50
ATM Q13315 1/20 0.50
ECE1 P42892 2/20 0.49
RAB9A P51151 2/20 0.49
MME P08473 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
NPC1 O15118 1/20 0.49
CAPN1 P07384 1/20 0.48

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
SCHEMBL7373971 1.00 CTSL (0.52) CTSLCTSSCTSBCTSKSYK
SCHEMBL3221956 1.00 CTSL (0.52) CTSLCTSSCTSBCTSKSYK
SCHEMBL2580714 1.00 CTSL (0.52) CTSLCTSSCTSBCTSKSYK
Water SCHEMBL20854852 0.99 CTSL (0.54) CTSLCTSSCTSBCTSKSYK
SCHEMBL10976731 0.93 CTSB (0.55) CTSLCTSSCTSBCTSKECE1
SCHEMBL6611310 0.92 TRPM8 (0.56) CTSLCTSSCTSBCTSKSYK
SCHEMBL10980641 0.87 CTSK (0.53) CTSLCTSSCTSBCTSKELANE
SCHEMBL10931252 0.86 CTSL (0.51) CTSLCTSSCTSBCTSKSYK
SCHEMBL220569 0.85 CTSL (0.63) CTSLCTSSCTSBCTSKELANE
SCHEMBL1287168 0.85 CTSL (0.63) CTSLCTSSCTSBCTSKELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 EP disclosed
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
CN-1842521-B Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD 2012-09-05 CN disclosed
US-20100041661-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2010-02-18 US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US disclosed
EP-2079710-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-07-22 EP disclosed
US-7557133-B2 Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD. (KR) 2009-07-07 US disclosed
EP-1660464-A4 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2008-11-26 EP disclosed
WO-2008056897-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-05-15 WO disclosed
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring LG CHEM, LTD. (KR) 2006-10-05 US disclosed
EP-1212309-B1 CASPASE INHIBITOR LG CHEM INVESTMENT LTD (KR) 2004-08-18 EP disclosed
US-6747050-B1 INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS LG CHEM INVESTMENT LTD. (KR) 2004-06-08 US disclosed
EP-1212309-A4 CASPASE INHIBITOR LG CHEM INVESTMENT LTD (KR) 2002-11-27 EP disclosed
EP-1212309-A1 CASPASE INHIBITOR LG Chem Investment, Ltd. (KR) 2002-06-12 EP disclosed
WO-2001021600-A1 CASPASE INHIBITOR LG CHEM INVESTMENT LTD. (KR) 2001-03-29 WO disclosed
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 EP disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 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-20100041661-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 CTSL 50/4885CTSS 101/4885CTSB 72/4885
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring CASP1, CASP7, CASP2 CTSL 67/4885CTSS 171/4885CTSB 77/4885
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 CTSL 50/4885CTSS 99/4885CTSB 73/4885

“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.