SCHEMBL16404701

SCHEMBL16404701

CNc1cc(C)ccc1C(=O)Nc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)c2)ccc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY11 Q96G91 7/20 0.76
▸ HPSE Q9Y251 5/20 0.76
▸ RECQL P46063 5/20 0.76
▸ KMT2A Q03164 5/20 0.76
▸ HSD17B10 Q99714 5/20 0.76
▸ TDP1 Q9NUW8 5/20 0.76
▸ TIMP3 P35625 4/20 0.76
▸ MAPT P10636 4/20 0.76
▸ PKM P14618 4/20 0.76
▸ P2RX1 P51575 4/20 0.76
▸ P2RX3 P56373 4/20 0.76
▸ MEN1 O00255 3/20 0.76
▸ SIRT2 Q8IXJ6 3/20 0.76
▸ SIRT1 Q96EB6 3/20 0.76
▸ USP2 O75604 2/20 0.76
▸ BRCA1 P38398 2/20 0.76
▸ ENPP3 O14638 1/20 0.76
▸ ENTPD3 O75355 1/20 0.76
▸ NR1I2 O75469 1/20 0.76
▸ PRKD3 O94806 1/20 0.76

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
SCHEMBL17903261 0.93 P2RY11 (0.75) P2RY11HPSERECQLKMT2AHSD17B10
SCHEMBL16404704 0.88 P2RY11 (0.86) P2RY11HPSERECQLKMT2AHSD17B10
Suramin SCHEMBL30312075 0.86 P2RY11 (1.00) P2RY11HPSERECQLKMT2AHSD17B10
Suramin SCHEMBL3161 0.86 P2RY11 (1.00) P2RY11HPSERECQLKMT2AHSD17B10
Suramin SCHEMBL29357785 0.86 P2RY11 (1.00) P2RY11HPSERECQLKMT2AHSD17B10
Suramin SCHEMBL29371906 0.86 P2RY11 (1.00) P2RY11HPSERECQLKMT2AHSD17B10
Suramin SCHEMBL30552218 0.86 P2RY11 (1.00) P2RY11HPSERECQLKMT2AHSD17B10
SCHEMBL30930073 0.84 P2RY11 (0.85) P2RY11HPSERECQLKMT2AHSD17B10
SCHEMBL21686991 0.84 P2RY11 (0.95) P2RY11HPSERECQLKMT2AHSD17B10
SCHEMBL11582827 0.82 P2RY11 (0.82) P2RY11HPSERECQLKMT2AHSD17B10

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-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-07-07 — — US disclosed
EP-2249854-B1 TREATMENT OF IMMUNOCOMPROMISED CONDITIONS WITH E-SELECTIN ANTAGONIST AND G-CSF MATER MEDICAL RES INST (AU) 2015-01-21 — — EP 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-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE P2RY11 831/4885HPSE 271/4885RECQL 2551/4885

“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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