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Sugi Predict / Compounds / SCHEMBL11997506

SCHEMBL11997506

SCHEMBL11997506

CCCC(=O)NC1[C@H](OCCCCCc2ccccc2)OC(CO)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3OC(CO)[C@@H](O[C@H]4C[C@H](O)C(O[C@H]5OC(COS(=O)(=O)O)[C@@H](O[C@H]6C[C@H](O)C(O[C@@H]7OC(COS(=O)(=O)O)[C@@H](O[C@H]8C[C@H](O)[C@H](O)CO8)[C@H](O)C7NC(=O)CCC)CO6)[C@H](O)C5NC(=O)CCC)CO4)[C@H](O)C3NC(=O)CCC)CO2)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.35
▸ LGALS8 O00214 1/20 0.35
▸ LGALS4 P56470 1/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ SSTR2 P30874 2/20 0.34
▸ SSTR3 P32745 2/20 0.34
▸ SSTR5 P35346 2/20 0.34
▸ BMP2 P12643 2/20 0.34
▸ VEGFA P15692 2/20 0.34
▸ CXCL12 P48061 2/20 0.34
▸ SHH Q15465 2/20 0.34
▸ BDNF P23560 3/20 0.34
▸ PTN P21246 2/20 0.34
▸ MDK P21741 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ B4GALT1 P15291 1/20 0.33
▸ IFNG P01579 1/20 0.32

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
SCHEMBL11997511 0.93 LGALS3 (0.35) LGALS3LGALS8LGALS4MCHR1SSTR2
SCHEMBL11997510 0.90 CA1 (0.33) LGALS3LGALS8LGALS4BMP2VEGFA
SCHEMBL11997498 0.90 BDNF (0.42) LGALS3LGALS8LGALS4BMP2VEGFA
SCHEMBL11997494 0.88 VEGFA (0.43) LGALS3LGALS8LGALS4BMP2VEGFA
SCHEMBL11997495 0.85 VEGFA (0.43) LGALS3LGALS8LGALS4BMP2VEGFA
SCHEMBL11997507 0.83 SELL (0.32) BMP2VEGFACXCL12SHHSELP
SCHEMBL11997509 0.83 BMP2 (0.33) LGALS3LGALS8LGALS4BMP2VEGFA
SCHEMBL11997497 0.82 VEGFA (0.49) LGALS3LGALS8LGALS4BMP2VEGFA
SCHEMBL11997493 0.81 VEGFA (0.50) LGALS3LGALS8LGALS4BMP2VEGFA
SCHEMBL11997496 0.78 VEGFA (0.41) LGALS3LGALS8LGALS4BMP2VEGFA

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-9012413-B2 FGF receptor-activating N-acyl octasaccharides, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-04-21 — — US disclosed
US-20120214754-A1 FGF RECEPTOR-ACTIVATING N-ACYL OCTASACCHARIDES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-23 — — 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-20120214754-A1 FGF RECEPTOR-ACTIVATING N-ACYL OCTASACCHARIDES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF FGFR1, FGF2, FGFR3 LGALS3 698/4885LGALS8 562/4885LGALS4 860/4885

“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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