SCHEMBL515856

SCHEMBL515856

CCCCCCCCCCCCCCCCC(NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HLCS P50747 3/20 0.64
▸ TDP1 Q9NUW8 5/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ IDE P14735 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RIN1 Q13671 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ FOLH1 Q04609 3/20 0.58
▸ CNR1 P21554 1/20 0.54
▸ NOD1 Q9Y239 1/20 0.51
▸ CAPN1 P07384 2/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CNR2 P34972 1/20 0.49

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
SCHEMBL2456107 1.00 HLCS (0.64) HLCSTDP1MEN1ABL1LMNA
SCHEMBL5821183 1.00 HLCS (0.64) HLCSTDP1MEN1ABL1LMNA
SCHEMBL5817718 0.99 HLCS (0.63) HLCSTDP1MEN1ABL1LMNA
SCHEMBL6159219 0.97 HLCS (0.60) HLCSTDP1MEN1ABL1LMNA
SCHEMBL5804916 0.97 TDP1 (0.61) HLCSTDP1MEN1ABL1LMNA
SCHEMBL30800274 0.97 TDP1 (0.61) HLCSTDP1MEN1ABL1LMNA
SCHEMBL30337427 0.94 HLCS (0.58) HLCSTDP1MEN1ABL1LMNA
SCHEMBL15353872 0.89 TDP1 (0.64) HLCSTDP1MEN1ABL1LMNA
SCHEMBL31065870 0.89 HLCS (0.58) HLCSTDP1MEN1ABL1LMNA
SCHEMBL739034 0.89 TDP1 (0.63) HLCSTDP1MEN1ABL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566494-B1 CXCR4 RECEPTOR COMPOUNDS ACER THERAPEUTICS INC (US) 2017-11-29 — — EP disclosed
US-20160159861-A1 APJ Receptor Compounds ANCHOR THERAPEUTICS, INC. (US) 2016-06-09 — — US disclosed
US-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 — — US disclosed
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 — — US disclosed
US-20150011466-A1 APJ Receptor Compounds ANCHOR THERAPEUTICS INC (US) 2015-01-08 — — US disclosed
US-20130210709-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-08-15 — — US disclosed
US-20130005944-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-01-03 — — US disclosed
US-20120028888-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2012-02-02 — — US disclosed
US-20110301087-A1 CRF1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — US disclosed
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — US disclosed
US-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS ANTHOR THERAPEUTICS, INC. 2011-12-01 — — US disclosed
WO-2010053547-A2 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 — — 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 (8 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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS PTH1R, MC1R, CASR HLCS 4297/4885TDP1 2582/4885MEN1 398/4885
US-20150011466-A1 APJ Receptor Compounds APLNR, AP1G1, AP2B1 HLCS 1990/4885TDP1 4639/4885MEN1 4240/4885
US-20120028888-A1 APJ RECEPTOR COMPOUNDS APLNR, AP1G1, AP2B1 HLCS 2179/4885TDP1 4531/4885MEN1 4292/4885
US-20130005944-A1 CXCR4 Receptor Compounds CXCL12, CXCR4, CCR5 HLCS 3055/4885TDP1 3953/4885MEN1 2487/4885
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 HLCS 1701/4885TDP1 3702/4885MEN1 3324/4885
US-20130210709-A1 CXCR4 Receptor Compounds CXCR4, CXCL12, SDF4 HLCS 2973/4885TDP1 4462/4885MEN1 3835/4885
US-20110301087-A1 CRF1 RECEPTOR COMPOUNDS CRHR1, CRH, CRHR2 HLCS 4474/4885TDP1 2784/4885MEN1 4518/4885
US-20160159861-A1 APJ Receptor Compounds APLNR, AP1G1, AP2B1 HLCS 1990/4885TDP1 4639/4885MEN1 4240/4885

“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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