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Sugi Predict / Compounds / SCHEMBL11997501

SCHEMBL11997501

SCHEMBL11997501

CO[C@H]1OC(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@@H](O[C@@H]5OC(COS(=O)(=O)O)[C@@H](O[C@H]6C[C@H](O)[C@@H](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(C)=O)CO6)[C@H](O)C5NC(C)=O)CO4)[C@H](O)C3NC(C)=O)CO2)[C@H](O)C1NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 1/20 0.40
▸ LGALS3 P17931 8/20 0.40
▸ LGALS7; LGALS7B P47929 3/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ LGALS9 O00182 3/20 0.39
▸ F10 P00742 1/20 0.39
▸ CHIA Q9BZP6 1/20 0.37
▸ LGALS8 O00214 1/20 0.37
▸ LGALS4 P56470 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ BMP2 P12643 1/20 0.34
▸ VEGFA P15692 1/20 0.34
▸ CXCL12 P48061 1/20 0.34
▸ SHH Q15465 1/20 0.34
▸ BDNF P23560 3/20 0.34
▸ HPSE Q9Y251 2/20 0.34
▸ PTN P21246 2/20 0.34
▸ MDK P21741 2/20 0.34

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
SCHEMBL11997502 1.00 CD69 (0.40) CD69LGALS3LGALS7; LGALS7BLGALS1LGALS9
SCHEMBL11997503 1.00 CD69 (0.40) CD69LGALS3LGALS7; LGALS7BLGALS1LGALS9
SCHEMBL11997500 1.00 CD69 (0.40) CD69LGALS3LGALS7; LGALS7BLGALS1LGALS9
SCHEMBL11997499 0.97 F10 (0.40) CD69LGALS3LGALS7; LGALS7BLGALS1LGALS9
SCHEMBL16656568 0.95 F10 (0.37) CD69LGALS3LGALS7; LGALS7BLGALS1LGALS9
SCHEMBL16656569 0.95 F10 (0.37) CD69LGALS3LGALS7; LGALS7BLGALS1LGALS9
SCHEMBL11997493 0.85 VEGFA (0.50) CD69LGALS3LGALS8LGALS4BMP2
SCHEMBL11997504 0.85 FGF1 (0.38) F10HPSE
SCHEMBL11997505 0.85 FGF1 (0.38) F10HPSE
SCHEMBL11997497 0.85 VEGFA (0.49) CD69LGALS3LGALS8LGALS4BMP2

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 CD69 1406/4885LGALS3 698/4885LGALS7; LGALS7B 506/4885

“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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