SCHEMBL23915510

SCHEMBL23915510

COC(=O)Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.58
GAA P10253 5/20 0.54
POLB P06746 2/20 0.51
RECQL P46063 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
ALOX15 P16050 1/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
AKR1B1 P15121 1/20 0.46

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
SCHEMBL23915403 0.87 S1PR2 (0.48) S1PR2GAAPOLBALDH1A1KDM4E
SCHEMBL23914932 0.87 MAPT (0.58) S1PR2GAAPOLBNPSR1TDP1
SCHEMBL23914631 0.78 RECQL (0.60) S1PR2POLBRECQLALDH1A1MEN1
SCHEMBL23914632 0.78 RECQL (0.49) GAAPOLBRECQLALDH1A1MEN1
SCHEMBL9529811 0.78 RECQL (0.62) S1PR2GAAPOLBRECQLALDH1A1
SCHEMBL23915640 0.78 AKR1B1 (0.52) S1PR2GAAPOLBALDH1A1KDM4E
SCHEMBL23915394 0.78 RECQL (0.56) S1PR2RECQLALDH1A1KMT2ATSHR
SCHEMBL23909042 0.77 TSHR (0.55) S1PR2RECQLALDH1A1KMT2ATSHR
SCHEMBL23915615 0.76 RECQL (0.52) S1PR2GAAPOLBRECQLALDH1A1
SCHEMBL23915389 0.76 RECQL (0.52) S1PR2GAAPOLBRECQLALDH1A1

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 3/4885GAA 3652/4885POLB 3606/4885

“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.