Sugi Predict

Sugi Predict / Compounds / SCHEMBL15896264

SCHEMBL15896264

SCHEMBL15896264

CO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](OCCOCCOCCOCCNC(=O)CCSC(C)=O)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SERPINC1 P01008 3/20 0.57
▸ F10 P00742 5/20 0.44
▸ F2 P00734 2/20 0.42
▸ HPSE Q9Y251 6/20 0.38
▸ FGF1 P05230 5/20 0.38
▸ FGF2 P09038 4/20 0.38
▸ CXCL10 P02778 1/20 0.38
▸ CXCL8 P10145 1/20 0.38
▸ CCL2 P13500 1/20 0.38
▸ CCL5 P13501 1/20 0.38
▸ CXCL12 P48061 1/20 0.38
▸ BDNF P23560 2/20 0.36
▸ PTN P21246 1/20 0.36
▸ MDK P21741 1/20 0.36

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
SCHEMBL15896265 0.94 SERPINC1 (0.56) SERPINC1F10F2HPSEFGF1
SCHEMBL15896274 0.88 SERPINC1 (0.57) SERPINC1F10F2HPSEFGF1
SCHEMBL15896277 0.86 SERPINC1 (0.59) SERPINC1F10F2HPSEFGF1
SCHEMBL15896276 0.86 SERPINC1 (0.55) SERPINC1F10F2HPSEFGF1
SCHEMBL15896273 0.84 SERPINC1 (0.69) SERPINC1F10F2HPSEFGF1
SCHEMBL12799309 0.83 SERPINC1 (0.68) SERPINC1F10F2HPSEFGF1
SCHEMBL10014814 0.80 SERPINC1 (0.42) SERPINC1F10F2HPSEFGF1
Idraparinux SCHEMBL29382311 0.79 SERPINC1 (0.85) SERPINC1F10F2HPSEFGF1
Idraparinux SCHEMBL427808 0.79 SERPINC1 (0.85) SERPINC1F10F2HPSEFGF1
SCHEMBL29407493 0.79 SERPINC1 (0.85) SERPINC1F10F2HPSEFGF1

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-9127038-B2 Kisspeptide-pentasaccharide conjugates MERCK SHARP & DOHME CORP. (US) 2015-09-08 — — US disclosed
US-20140206627-A1 KISSPEPTIDE-PENTASACCHARIDE CONJUGATES MERCK SHARP & DOHME B.V. (US) 2014-07-24 — — 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 (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-20140206627-A1 KISSPEPTIDE-PENTASACCHARIDE CONJUGATES KISS1R, GNRHR, ZYX SERPINC1 235/4885F10 60/4885F2 2058/4885

“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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