SCHEMBL7903793

SCHEMBL7903793

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HLCS P50747 3/20 0.63
▸ TDP1 Q9NUW8 5/20 0.56
▸ CNR1 P21554 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ IDE P14735 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RIN1 Q13671 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CNR2 P34972 2/20 0.50
▸ CA12 O43570 3/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ F2 P00734 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 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
SCHEMBL15185874 0.87 HLCS (0.67) HLCSTDP1CNR1MEN1ABL1
SCHEMBL14479360 0.86 HLCS (0.65) HLCSTDP1CNR1MEN1ABL1
SCHEMBL5821183 0.85 HLCS (0.64) HLCSTDP1CNR1MEN1ABL1
SCHEMBL515856 0.85 HLCS (0.64) HLCSTDP1CNR1MEN1ABL1
SCHEMBL2456107 0.85 HLCS (0.64) HLCSTDP1CNR1MEN1ABL1
SCHEMBL19462683 0.85 HLCS (0.65) HLCSTDP1CNR1MEN1ABL1
SCHEMBL16299156 0.84 HLCS (0.63) HLCSTDP1CNR1MEN1ABL1
Hydrochloric Acid SCHEMBL7376022 0.84 HLCS (0.63) HLCSTDP1CNR1MEN1ABL1
SCHEMBL5817718 0.84 HLCS (0.63) HLCSTDP1CNR1MEN1ABL1
SCHEMBL5804916 0.82 TDP1 (0.61) HLCSTDP1CNR1MEN1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 — — US disclosed
US-20130210709-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-08-15 — — US disclosed
WO-2010053550-A2 CXCR4 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 (1 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-20130210709-A1 CXCR4 Receptor Compounds CXCR4, CXCL12, SDF4 HLCS 2973/4885TDP1 4462/4885CNR1 48/4885

“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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