SCHEMBL3075480

SCHEMBL3075480

CCCCCCO[C@@H]1[C@@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.66
ITPR3 Q14573 7/20 0.55
ITPR2 Q14571 3/20 0.50
ITPR1 Q14643 3/20 0.50
LPAR3 Q9UBY5 3/20 0.49
LPAR1 Q92633 2/20 0.49
LPAR2 Q9HBW0 2/20 0.49
INPP5A Q14642 1/20 0.48
INPPL1 O15357 1/20 0.48
AKT1 P31749 1/20 0.48

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
SCHEMBL3654572 0.93 ITPR3 (0.59) GBA1ITPR3ITPR2ITPR1INPP5A
SCHEMBL8500705 0.90 ITPR3 (0.57) GBA1ITPR3ITPR2ITPR1INPP5A
SCHEMBL8496576 0.90 ITPR3 (0.57) GBA1ITPR3ITPR2ITPR1INPP5A
SCHEMBL3081758 0.90 LPAR3 (0.55) GBA1ITPR3LPAR3LPAR1LPAR2
SCHEMBL3086058 0.90 LPAR3 (0.55) GBA1ITPR3LPAR3LPAR1LPAR2
SCHEMBL7751818 0.88 LPAR3 (0.52) GBA1ITPR3ITPR2ITPR1LPAR3
SCHEMBL3086336 0.88 LPAR3 (0.52) GBA1ITPR3ITPR2ITPR1LPAR3
SCHEMBL3080816 0.88 LPAR3 (0.52) GBA1ITPR3ITPR2ITPR1LPAR3
SCHEMBL3645971 0.86 ITPR3 (0.63) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL3073627 0.83 PDPK1 (0.47) GBA1ITPR3ITPR2ITPR1LPAR3

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-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 US claimed
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT SIRÈN MATTI (FI) 2016-03-17 US disclosed
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 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-20100261682-A1 Method and Means for the Treatment of Cachexia PYGM, GYS1, CPT1B GBA1 2176/4885ITPR3 3281/4885ITPR2 3937/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB GBA1 91/4885ITPR3 4534/4885ITPR2 4560/4885

“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.