SCHEMBL23908992

SCHEMBL23908992

CC(C)(C)OC(=O)Cc1nn(CC(=O)N2CCOCC2)c(=O)c2cc(N3CCOCC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.41
SLC6A4 P31645 4/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NR2F2 P24468 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
HTR2A P28223 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2C P28335 1/20 0.37
CCR1 P32246 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL23909070 0.88 S1PR2 (0.46) S1PR2MEN1KMT2ANPC1MAPT
SCHEMBL23966510 0.87 S1PR2 (0.45) S1PR2MEN1KMT2ANPC1MAPT
SCHEMBL23915287 0.86 S1PR2 (0.45) S1PR2MEN1KMT2ANPC1MAPT
SCHEMBL23908938 0.86 S1PR2 (0.46) S1PR2MEN1KMT2ANPC1MAPT
SCHEMBL23966504 0.85 NPC1 (0.47) S1PR2MEN1KMT2ANPC1MAPT
SCHEMBL23915510 0.76 S1PR2 (0.58) S1PR2MEN1KMT2AMAPTLMNA
SCHEMBL23909062 0.75 AKR1B1 (0.52) S1PR2MEN1KMT2ANPC1LMNA
SCHEMBL23915403 0.74 S1PR2 (0.48) S1PR2MEN1KMT2ANPC1LMNA
SCHEMBL23908956 0.73 RECQL (0.49) S1PR2MEN1KMT2ASLC6A4LMNA
SCHEMBL23914932 0.71 MAPT (0.58) S1PR2MAPTSMN1; SMN2GAATSHR

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 S1PR2 3/4885MEN1 2554/4885KMT2A 2974/4885

“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.