SCHEMBL9925410

SCHEMBL9925410

CC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(N)=O)[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.39
▸ OGA O60502 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ P4HB P07237 1/20 0.32
▸ PDIA4 P13667 1/20 0.32
▸ PDIA3 P30101 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ CA9 Q16790 7/20 0.32
▸ CA12 O43570 6/20 0.32
▸ CA1 P00915 5/20 0.32
▸ LMNA P02545 1/20 0.31
▸ BCHE P06276 1/20 0.31

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
SCHEMBL15982017 0.92 OGA (0.43) CA2OGACYP2D6THRBHSD17B10
SCHEMBL25763672 0.92 OGA (0.43) CA2OGACYP2D6THRBHSD17B10
SCHEMBL12958081 0.92 OGA (0.43) CA2OGACYP2D6THRBHSD17B10
SCHEMBL19798073 0.92 OGA (0.43) CA2OGACYP2D6THRBHSD17B10
SCHEMBL16259299 0.92 OGA (0.43) CA2OGACYP2D6THRBHSD17B10
SCHEMBL25480878 0.92 OGA (0.43) CA2OGACYP2D6THRBHSD17B10
SCHEMBL19770015 0.92 OGA (0.43) CA2OGACYP2D6THRBHSD17B10
SCHEMBL17191644 0.92 OGA (0.43) CA2OGACYP2D6THRBHSD17B10
SCHEMBL17521955 0.92 OGA (0.43) CA2OGACYP2D6THRBHSD17B10
SCHEMBL16923234 0.88 OGA (0.41) CA2OGACYP2D6THRBHSD17B10

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-9624255-B2 Carbohydrate-mediated tumor targeting ARIZONA BOARD OF REGENTS (US) 2017-04-18 — — US disclosed
US-20160038615-A1 SACCHARIDE CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-11 — — US disclosed
US-20120148502-A1 Carbohydrate-Mediated Tumor Targeting Arizona Board of Regents, a body corporate of the State of Ariz. acting for and on behalf of Ariz. (US) 2012-06-14 — — 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 (2 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-20120148502-A1 Carbohydrate-Mediated Tumor Targeting CA14, CA13, CA12 CA2 93/4885OGA 1182/4885CYP2D6 4855/4885
US-20160038615-A1 SACCHARIDE CONJUGATES BLM, DCLRE1A, MAN1B1 CA2 3410/4885OGA 438/4885CYP2D6 4518/4885

“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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