SCHEMBL4421042

SCHEMBL4421042

Cc1ccc(S[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 12/20 0.50
LGALS9 O00182 5/20 0.50
LGALS1 P09382 5/20 0.50
LGALS7; LGALS7B P47929 4/20 0.49
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA4 P22748 3/20 0.45
CA5A P35218 3/20 0.45
CA7 P43166 3/20 0.45
CA5B Q9Y2D0 3/20 0.45
LGALS8 O00214 3/20 0.39
LGALS4 P56470 1/20 0.37
RNASE1 P07998 1/20 0.35
SSTR4 P31391 2/20 0.34
SSTR5 P35346 2/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL5899337 0.89 LGALS3 (0.56) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL7027211 0.86 CA1 (0.42) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL3319645 0.83 PTPN1 (0.38) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL3817822 0.83 LGALS3 (0.65) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL17073909 0.83 LGALS9 (0.40) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL22500214 0.83 LGALS3 (0.49) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL9116172 0.81 LGALS9 (0.60) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL18942028 0.80 LGALS9 (0.62) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL2741354 0.80 MEN1 (0.40) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL12153361 0.80 MEN1 (0.40) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338387-B2 Small molecule stimulators of neuronal growth CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-12-25 US disclosed
US-7638503-B2 Small molecule stimulators of neuronal growth CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-12-29 US disclosed
US-20060025379-A1 Small molecule stimulators of neuronal growth CALIFORNIA INSTITUTE OF TECHNOLOGY 2006-02-02 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-20060025379-A1 Small molecule stimulators of neuronal growth BDNF, GAP43, NGF LGALS3 2203/4885LGALS9 3695/4885LGALS1 1938/4885

“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.