SCHEMBL21553555

SCHEMBL21553555

O=CCCCC[C@@H]1SCC2NC(=O)N[C@@H]21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HLCS P50747 6/20 0.68
▸ TDP1 Q9NUW8 6/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ ABL1 P00519 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ IDE P14735 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ RIN1 Q13671 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ CA12 O43570 6/20 0.46
▸ CA1 P00915 6/20 0.46
▸ CA2 P00918 6/20 0.46
▸ CA9 Q16790 6/20 0.46

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
SCHEMBL5599925 1.00 HLCS (0.68) HLCSTDP1MEN1ABL1LMNA
SCHEMBL14613464 1.00 HLCS (0.68) HLCSTDP1MEN1ABL1LMNA
SCHEMBL5891326 1.00 HLCS (0.68) HLCSTDP1MEN1ABL1LMNA
SCHEMBL17641197 1.00 HLCS (0.68) HLCSTDP1MEN1ABL1LMNA
SCHEMBL14016216 1.00 HLCS (0.68) HLCSTDP1MEN1ABL1LMNA
SCHEMBL16841483 1.00 HLCS (0.68) HLCSTDP1MEN1ABL1LMNA
SCHEMBL23476650 1.00 HLCS (0.68) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21515957 1.00 HLCS (0.68) HLCSTDP1MEN1ABL1LMNA
SCHEMBL22769187 1.00 HLCS (0.68) HLCSTDP1MEN1ABL1LMNA
SCHEMBL771650 1.00 HLCS (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 — — US disclosed
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 — — 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 (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-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 HLCS 695/4885TDP1 4635/4885MEN1 3665/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 HLCS 887/4885TDP1 4610/4885MEN1 3278/4885

“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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