SCHEMBL23908911

SCHEMBL23908911

C[Si](C)(C)CCOCn1nc(CC(=O)O)c(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.45
AKR1B1 P15121 9/20 0.41
S1PR2 O95136 2/20 0.41
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
GLA P06280 1/20 0.37
SLC16A3 O15427 1/20 0.37

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
SCHEMBL23909037 0.89 NPC1 (0.44) MAPTNPC1S1PR2HSD17B10KMT2A
SCHEMBL23914490 0.85 MAPT (0.44) MAPTAKR1B1S1PR2POLBHSD17B10
SCHEMBL23914582 0.85 MAPT (0.44) MAPTAKR1B1S1PR2POLBHSD17B10
SCHEMBL23908827 0.85 NPC1 (0.43) MAPTNPC1HSD17B10KMT2AALOX15
SCHEMBL23915533 0.85 AKR1B1 (0.39) MAPTNPC1AKR1B1
SCHEMBL23915455 0.84 SMN1; SMN2 (0.39) MAPTNPC1AKR1B1S1PR2
SCHEMBL23908973 0.83 NPC1 (0.41) NPC1SLC16A3
SCHEMBL28381362 0.83 NPC1 (0.42) NPC1HSD17B10KMT2ATSHR
SCHEMBL30142294 0.80 NPC1 (0.47) MAPTNPC1KMT2ATSHR
SCHEMBL30142296 0.80 NPC1 (0.47) MAPTNPC1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAPT 4876/4885NPC1 467/4885AKR1B1 124/4885

“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.