SCHEMBL23914592

SCHEMBL23914592

CCOC(=O)Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccc(S(C)(=O)=O)cc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
S1PR2 O95136 2/20 0.46
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A4 P31645 5/20 0.41
GAA P10253 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL23914637 0.88 AKR1B1 (0.47) S1PR2ALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL23908956 0.86 RECQL (0.49) RECQLS1PR2ALDH1A1L3MBTL1CYP1A2
SCHEMBL23909071 0.79 RECQL (0.48) RECQLS1PR2ALDH1A1L3MBTL1CYP1A2
SCHEMBL23915403 0.77 S1PR2 (0.48) S1PR2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL23915510 0.75 S1PR2 (0.58) RECQLS1PR2ALDH1A1SMN1; SMN2MEN1
SCHEMBL23909030 0.75 RECQL (0.46) RECQLS1PR2ALDH1A1L3MBTL1CYP1A2
SCHEMBL23915640 0.74 AKR1B1 (0.52) S1PR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23966862 0.72 AKR1B1 (0.47) S1PR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28377186 0.71 S1PR2 (0.45) S1PR2ALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL23914932 0.71 MAPT (0.58) S1PR2SMN1; SMN2GAAPOLBTSHR

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
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 RECQL 1509/4885S1PR2 3/4885ALDH1A1 944/4885

“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.