SCHEMBL23909024

SCHEMBL23909024

C[Si](C)(C)CCOCn1c(Cn2nc(CC(=O)O)c(=O)c3ccccc32)cc2cc(Cl)c(OCC3CC3)cc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 15/20 0.59
KCNH2 Q12809 1/20 0.39
KMO O15229 2/20 0.38
NPC1 O15118 1/20 0.35
P2RX3 P56373 1/20 0.35
AKR1B1 P15121 1/20 0.34

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
SCHEMBL23908923 0.93 S1PR2 (0.51) S1PR2KCNH2KMONPC1P2RX3
SCHEMBL23914568 0.91 S1PR2 (0.58) S1PR2KCNH2KMOP2RX3
SCHEMBL23966546 0.89 S1PR2 (0.56) S1PR2KCNH2KMOP2RX3
SCHEMBL23914587 0.85 S1PR2 (0.50) S1PR2KCNH2KMOP2RX3
SCHEMBL23908856 0.77 S1PR2 (0.67) S1PR2KCNH2KMOAKR1B1
SCHEMBL23909068 0.76 KMO (0.37) KMO
SCHEMBL23914864 0.75 S1PR2 (0.43) S1PR2KCNH2NPC1
SCHEMBL23908757 0.74 S1PR2 (1.00) S1PR2KCNH2P2RX3AKR1B1
SCHEMBL23908911 0.74 MAPT (0.45) S1PR2NPC1AKR1B1
SCHEMBL23914598 0.72 KMO (0.39) KMOP2RX3

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
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

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 S1PR2 3/4885KCNH2 1865/4885KMO 2034/4885

“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.