SCHEMBL2686310

SCHEMBL2686310

NC(=O)[C@@H]1CCC[C@@H]1C(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ CTSB P07858 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ EPHX1 P07099 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD11B1 P28845 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ PSEN1 P49768 3/20 0.36
▸ PSEN2 P49810 3/20 0.36
▸ APH1B Q8WW43 3/20 0.36
▸ NCSTN Q92542 3/20 0.36
▸ APH1A Q96BI3 3/20 0.36
▸ PSENEN Q9NZ42 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2686368 0.94 ALDH1A1 (0.45) HPGDCTSBCTSSCTSKEPHX1
SCHEMBL2687600 0.85 SMN1; SMN2 (0.41) HPGDALDH1A1TSHRSMN1; SMN2
SCHEMBL2686314 0.79 HPGD (0.48) HPGDCTSBCTSSCTSKALDH1A1
SCHEMBL6164706 0.79 HPGD (0.48) HPGDCTSBCTSSCTSKALDH1A1
SCHEMBL699775 0.79 HPGD (0.54) HPGDCTSBCTSSCTSKALDH1A1
SCHEMBL6164702 0.79 HPGD (0.48) HPGDCTSBCTSSCTSKALDH1A1
SCHEMBL7362431 0.79 EPHX1 (0.59) EPHX1ALDH1A1PSEN1PSEN2APH1B
SCHEMBL2343227 0.79 EPHX1 (0.59) EPHX1ALDH1A1PSEN1PSEN2APH1B
SCHEMBL6167481 0.75 HPGD (0.48) HPGDCTSBCTSSCTSKALDH1A1
SCHEMBL6167485 0.75 HPGD (0.48) HPGDCTSBCTSSCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 — — EP claimed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 — — US claimed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 — — US claimed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 — — US claimed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 — — US claimed
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 — — EP disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 — — US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 — — US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 — — US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 — — US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 — — 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 (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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 HPGD 2939/4885CTSB 979/4885CTSS 1499/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 HPGD 2939/4885CTSB 979/4885CTSS 1499/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 HPGD 2939/4885CTSB 979/4885CTSS 1499/4885

“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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