SCHEMBL23915323

SCHEMBL23915323

CCOc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4c3CCCC4)nc2cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.54
XDH P47989 1/20 0.35
AKR1B1 P15121 3/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
TTK P33981 1/20 0.32
MAPK8 P45983 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL23914679 0.90 S1PR2 (0.56) S1PR2AKR1B1
SCHEMBL23915007 0.90 S1PR2 (0.49) S1PR2AKR1B1
SCHEMBL23908995 0.89 S1PR2 (0.60) S1PR2KDM4EALDH1A1MAPTIDH1
SCHEMBL23966879 0.88 S1PR2 (0.41) S1PR2IDH1
SCHEMBL23908754 0.88 S1PR2 (0.67) S1PR2AKR1B1
SCHEMBL23915343 0.86 S1PR2 (0.58) S1PR2AKR1B1
SCHEMBL23908767 0.85 S1PR2 (0.75) S1PR2MAPT
SCHEMBL23915474 0.82 S1PR2 (0.41) S1PR2AKR1B1
SCHEMBL23908798 0.81 S1PR2 (0.66) S1PR2AKR1B1
SCHEMBL23908727 0.79 S1PR2 (0.69) S1PR2

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 3/4885XDH 3672/4885AKR1B1 124/4885

“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.