SCHEMBL21531206

SCHEMBL21531206

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.70
▸ PRSS1 P07477 2/20 0.67
▸ PRSS2 P07478 2/20 0.67
▸ PRSS3 P35030 2/20 0.67
▸ TPSAB1 Q15661 2/20 0.67
▸ F2 P00734 1/20 0.67
▸ PKM P14618 3/20 0.65
▸ TDP1 Q9NUW8 5/20 0.62
▸ HSP90AB1 P08238 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ LMNA P02545 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
▸ PLG P00747 1/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55

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
SCHEMBL21531147 1.00 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL1164911 0.98 F2 (0.69) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL721419 0.98 F2 (0.69) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19357618 0.98 F2 (0.69) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL27209727 0.97 F2 (0.67) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751698 0.94 F2 (0.73) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15216220 0.94 F2 (0.73) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4968230 0.94 F2 (0.73) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19017236 0.94 F2 (0.73) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL17975148 0.93 FOLH1 (0.74) FOLH1PRSS1PRSS2PRSS3TPSAB1

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 FOLH1 1157/4885PRSS1 1431/4885PRSS2 2036/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 FOLH1 1128/4885PRSS1 1647/4885PRSS2 2229/4885

“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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