SCHEMBL3362855

SCHEMBL3362855

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL29430364 1.00 CA12 (0.43) CA12CA1CA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL15380918 0.99 CA12 (0.43) CA12CA1CA9KDM4EALDH1A1
SCHEMBL24621959 0.93 CA12 (0.44) CA12CA1CA9KDM4EALDH1A1
SCHEMBL11350787 0.88 KDM4E (0.46) CA12CA1CA9KDM4EALDH1A1
SCHEMBL31301807 0.88 KDM4E (0.46) CA12CA1CA9KDM4EALDH1A1
SCHEMBL29544027 0.88 CA1 (0.50) CA12CA1CA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11350984 0.88 CA1 (0.46) CA12CA1CA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29692762 0.87 CA1 (0.49) CA12CA1CA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11482111 0.87 CA12 (0.45) CA12CA1CA9KDM4EALDH1A1
SCHEMBL29543787 0.86 CA1 (0.53) CA12CA1CA9KDM4EALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-7319086-B1 Method of prophylaxis and treatment and agents useful for same UNIVERSITY OF SYDNEY (AU) 2008-01-15 US disclosed
EP-1088081-B1 PRODUCTION OF UROKINASE IN PLANT-BASED EXPRESSION SYSTEMS CROPTECH DEV CORP (US) 2005-03-09 EP disclosed
EP-1189630-A4 A METHOD OF PROPHYLAXIS AND TREATMENT AND AGENTS USEFUL FOR SAME UNIV SYDNEY (AU) 2004-08-18 EP disclosed
US-20040111765-A1 Production of urokinase in plant-based expression systems OISHI KAREN K (US) 2004-06-10 US disclosed
EP-1189630-A1 A METHOD OF PROPHYLAXIS AND TREATMENT AND AGENTS USEFUL FOR SAME University of Sydney (AU) 2002-03-27 EP disclosed
EP-1088081-A1 PRODUCTION OF UROKINASE IN PLANT-BASED EXPRESSION SYSTEMS Croptech Development Corporation (US) 2001-04-04 EP disclosed
WO-2000072875-A1 A METHOD OF PROPHYLAXIS AND TREATMENT AND AGENTS USEFUL FOR SAME UNIVERSITY OF SYDNEY (AU) 2000-12-07 WO disclosed
WO-2000000624-A9 PRODUCTION OF UROKINASE IN PLANT-BASED EXPRESSION SYSTEMS CROPTECH DEV CORP (US) 2000-11-02 WO disclosed
WO-2000000624-A1 PRODUCTION OF UROKINASE IN PLANT-BASED EXPRESSION SYSTEMS CROPTECH DEVELOPMENT CORPORATION (US) 2000-01-06 WO disclosed
WO-1994012204-A1 ANTICOAGULANT PROTEINS MERCK & CO., INC. (US) 1994-06-09 WO disclosed
EP-0000063-B1 DIPEPTIDE DERIVATIVES OF 7-(N-ALPHA-SUBSTITUTED OR NON-SUBSTITUTED X-ARGINYL)-AMINO-4-METHYL-COUMARIN AJINOMOTO CO., INC. (JP) 1981-06-10 EP disclosed
EP-0000063-A1 Dipeptide derivatives of 7-(N-alpha-substituted or non-substituted X-arginyl)-amino-4-methyl-coumarin AJINOMOTO CO., INC. (JP) 1978-12-20 EP 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CA12 4856/4885CA1 4868/4885CA9 4872/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CA12 1810/4885CA1 3434/4885CA9 1667/4885

“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.