SCHEMBL3044101

SCHEMBL3044101

CCOP(=O)(CCC(NC(=O)OC(C)(C)C)C(=O)O)OCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.48
CTSS P25774 7/20 0.48
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
CAPN1 P07384 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
ACE P12821 1/20 0.39
FOLH1 Q04609 1/20 0.39

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
SCHEMBL523769 0.86 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1111142 0.86 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL523768 0.86 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL4576106 0.81 PPARA (0.52) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL28326454 0.81 CTSK (0.58) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL17615021 0.80 CTSS (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL17603551 0.80 CTSS (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL4575062 0.80 CYP1A2 (0.53) CTSKCTSSGAACYP1A2CYP2C9
SCHEMBL17614474 0.80 CTSS (0.56) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL3450517 0.79 CTSK (0.66) CTSKCTSSMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951093-B2 Chiral compounds substituted with phosphonic acid ester functions or phosphonic acid functions UGISENSE AG (DE) 2018-04-24 US disclosed
US-20130131019-A1 CHIRAL COMPOUNDS SUBSTITUTED WITH PHOSPHONIC ACID ESTER FUNCTIONS OR PHOSPHONIC ACID FUNCTIONS UGICHEM GMBH (AT) 2013-05-23 US disclosed
US-8362243-B2 Method for selective localization of active agents at and in mitochondria and corresponding active agents UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2013-01-29 US disclosed
US-20100022478-A1 CHIRAL COMPOUNDS SUBSTITUTED WITH PHOSPHONATE ACID ESTER FUNCTIONS OR PHOSPHONIC ACID FUNCTIONS UGICHEM GMBH (AT) 2010-01-28 US disclosed
US-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2010-01-14 US disclosed
CN-101547934-A Process for selectively localizing active ingredients on and in mitochondria and corresponding active ingredients UGICHEM GES FUER ORGANISCHE CH (AT) 2009-09-30 CN disclosed
CN-101495505-A Chiral compounds substituted with phosphonate ester or phosphonic acid UGICHEM GMBH (AT) 2009-07-29 CN 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-20130131019-A1 CHIRAL COMPOUNDS SUBSTITUTED WITH PHOSPHONIC ACID ESTER FUNCTIONS OR PHOSPHONIC ACID FUNCTIONS PNP, PHOSPHO1, PNKP CTSK 4157/4885CTSS 3621/4885MEN1 2898/4885
US-20100022478-A1 CHIRAL COMPOUNDS SUBSTITUTED WITH PHOSPHONATE ACID ESTER FUNCTIONS OR PHOSPHONIC ACID FUNCTIONS PNP, PHOSPHO1, PNKP CTSK 4223/4885CTSS 3875/4885MEN1 2956/4885
US-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS TFB2M, TFAM, SHMT2 CTSK 3208/4885CTSS 1880/4885MEN1 2993/4885

“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.