SCHEMBL1857553

SCHEMBL1857553

OC1CN(Cc2ccc(-c3ccccc3)cc2)CC(O)C(O)C1O

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.80
GBA1 P04062 4/20 0.62
CYP2D6 P10635 2/20 0.52
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
S1PR1 P21453 5/20 0.49
S1PR5 Q9H228 5/20 0.49
KCNH2 Q12809 1/20 0.49
FAAH O00519 1/20 0.48
CYP2C19 P33261 1/20 0.47
S1PR4 O95977 1/20 0.47

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
SCHEMBL2268869 1.00 FUCA1 (0.80) FUCA1GBA1CYP2D6HRH4HRH3
SCHEMBL30287840 0.97 FUCA1 (0.74) FUCA1GBA1CYP2D6HRH4HRH3
SCHEMBL24008565 0.97 FUCA1 (0.74) FUCA1GBA1CYP2D6HRH4HRH3
SCHEMBL3262680 0.93 FUCA1 (0.68) FUCA1GBA1CYP2D6HRH4HRH3
SCHEMBL7637770 0.89 FUCA1 (1.00) FUCA1GBA1S1PR1S1PR5
SCHEMBL1860555 0.89 FUCA1 (1.00) FUCA1GBA1S1PR1S1PR5
SCHEMBL7637709 0.89 FUCA1 (1.00) FUCA1GBA1S1PR1S1PR5
SCHEMBL2713369 0.88 GBA1 (0.83) FUCA1GBA1CYP2D6
SCHEMBL5324079 0.88 GBA1 (0.83) FUCA1GBA1CYP2D6
SCHEMBL2713362 0.88 GBA1 (0.83) FUCA1GBA1CYP2D6

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 6 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

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 FUCA1 17/4885GBA1 3/4885CYP2D6 1655/4885
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS GPI, GALE, HAVCR2 FUCA1 83/4885GBA1 18/4885CYP2D6 630/4885

“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.