SCHEMBL23915403

SCHEMBL23915403

COC(=O)Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccc(OC)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
USP2 O75604 1/20 0.46
GAA P10253 4/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PSMD14 O00487 1/20 0.44
FKBP1A P62942 2/20 0.44
POLB P06746 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
AKR1B1 P15121 1/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL23915640 0.91 AKR1B1 (0.52) S1PR2ALDH1A1KDM4EUSP2GAA
SCHEMBL23909062 0.87 AKR1B1 (0.52) S1PR2ALDH1A1KDM4EUSP2GAA
SCHEMBL23915510 0.87 S1PR2 (0.58) S1PR2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL23908956 0.79 RECQL (0.49) S1PR2ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL23914592 0.77 RECQL (0.47) S1PR2ALDH1A1GAASMN1; SMN2NPC1
SCHEMBL23966862 0.76 AKR1B1 (0.47) S1PR2ALDH1A1KDM4EGAAHPGD
SCHEMBL23914637 0.75 AKR1B1 (0.47) S1PR2ALDH1A1KDM4EGAAHPGD
SCHEMBL23909070 0.75 S1PR2 (0.46) S1PR2ALDH1A1GAAHSD17B10NPC1
SCHEMBL23914932 0.74 MAPT (0.58) S1PR2GAASMN1; SMN2POLBAKR1B1
SCHEMBL28377186 0.72 S1PR2 (0.45) S1PR2ALDH1A1KDM4EGAAHSD17B10

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 S1PR2 3/4885ALDH1A1 944/4885KDM4E 3835/4885

“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.