SCHEMBL23914637

SCHEMBL23914637

CS(=O)(=O)c1ccc2c(=O)n(CC(=O)N3CCOCC3)nc(CC(=O)O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.47
S1PR2 O95136 2/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
PARG Q86W56 1/20 0.40
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL23914592 0.88 RECQL (0.47) S1PR2ALDH1A1MEN1KMT2APOLB
SCHEMBL23915640 0.83 AKR1B1 (0.52) AKR1B1S1PR2ALDH1A1MEN1KMT2A
SCHEMBL23966862 0.83 AKR1B1 (0.47) AKR1B1S1PR2MAPTALDH1A1MEN1
SCHEMBL23914932 0.82 MAPT (0.58) AKR1B1S1PR2MAPTPOLBGAA
SCHEMBL23909062 0.80 AKR1B1 (0.52) AKR1B1S1PR2ALDH1A1MEN1KMT2A
SCHEMBL23908938 0.79 S1PR2 (0.46) AKR1B1S1PR2MAPTALDH1A1MEN1
SCHEMBL23909112 0.78 S1PR2 (0.45) AKR1B1S1PR2MAPTALDH1A1MEN1
SCHEMBL23914960 0.75 S1PR2 (0.44) AKR1B1S1PR2MAPTALDH1A1POLB
SCHEMBL23915403 0.75 S1PR2 (0.48) AKR1B1S1PR2ALDH1A1MEN1KMT2A
SCHEMBL23915510 0.73 S1PR2 (0.58) AKR1B1S1PR2MAPTALDH1A1MEN1

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 2 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

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 AKR1B1 124/4885S1PR2 3/4885MAPT 4876/4885

“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.