SCHEMBL1856934

SCHEMBL1856934

OCN1CCC(O)C(O)C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.33
GAA P10253 3/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
NGLY1 Q96IV0 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
GANAB Q14697 1/20 0.32
GLB1 P16278 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
SCHEMBL4025427 0.81
SCHEMBL1383108 0.81
SCHEMBL586660 0.78 GAA (0.31) GBA1GAAMEN1CYP1A2CYP2C9
SCHEMBL13037926 0.78 SMN1; SMN2 (0.42) GBA1GLB1
SCHEMBL3380659 0.78 GAA (0.31) GBA1GAAMEN1CYP1A2CYP2C9
SCHEMBL23475172 0.78 SMN1; SMN2 (0.42) GBA1GLB1
SCHEMBL14120089 0.78 SMN1; SMN2 (0.42) GBA1GLB1
SCHEMBL587533 0.78 GAA (0.35) GBA1GAATHRBMEN1CYP1A2
SCHEMBL1860123 0.77
SCHEMBL3188988 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES SUMMIT CORPORATION PLC (GB) 2011-09-29 US disclosed
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2011-08-11 US disclosed
EP-2323651-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS Summit Corporation Plc (GB) 2011-05-25 EP disclosed
WO-2010049678-A2 TREATMENT OF ENERGY UTILIZATION DISEASES SUMMIT CORPORATION PLC (GB) 2010-05-06 WO disclosed
WO-2010029313-A1 ANTIINFECTIVE COMPOUNDS SUMMIT CORPORATION PLC. (GB) 2010-03-18 WO disclosed
WO-2010015815-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2010-02-11 WO disclosed
WO-2007150064-A2 METHOD FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BY ENHANCING THE ACTIVITY OF β-GLUCOCEREBROSIDASE AMICUS THERAPEUTICS, INC. (US) 2007-12-27 WO 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-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES GAA, MAN2B1, GBA1 GBA1 3/4885GAA 1/4885THRB 2984/4885
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS GPI, GALE, HAVCR2 GBA1 18/4885GAA 107/4885THRB 4356/4885

“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.