SCHEMBL23909112

SCHEMBL23909112

N#Cc1ccc2c(CC(=O)O)nn(CC(=O)N3CCOCC3)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.45
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
AKR1B1 P15121 8/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
CDK1 P06493 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
SCHEMBL23915287 0.86 S1PR2 (0.45) S1PR2NPC1MITFLMNAHTT
SCHEMBL23908938 0.84 S1PR2 (0.46) S1PR2NPC1MITFLMNAHTT
SCHEMBL23914932 0.83 MAPT (0.58) S1PR2AKR1B1MAPTGAANPSR1
SCHEMBL23909062 0.82 AKR1B1 (0.52) S1PR2NPC1LMNARAB9AAKR1B1
SCHEMBL23915640 0.78 AKR1B1 (0.52) S1PR2NPC1LMNARAB9AAKR1B1
SCHEMBL23966862 0.78 AKR1B1 (0.47) S1PR2NPC1MITFLMNAHTT
SCHEMBL23914637 0.78 AKR1B1 (0.47) S1PR2NPC1MITFLMNAHTT
SCHEMBL23914960 0.74 S1PR2 (0.44) S1PR2NPC1MITFLMNAHTT
SCHEMBL8949200 0.73 TSHR (0.46) NPC1MITFLMNAHTTRAB9A
SCHEMBL23966504 0.73 NPC1 (0.47) S1PR2NPC1MITFLMNAHTT

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 4 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
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 S1PR2 3/4885NPC1 467/4885MITF 4545/4885

“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.