SCHEMBL23915496

SCHEMBL23915496

CCOC(=O)C(C)n1nc(Cn2cc3cc(OCC(F)F)c(Cl)cc3n2)c2ccccc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 7/20 0.65
KCNH2 Q12809 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
AKR1B1 P15121 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL23908796 0.91 S1PR2 (0.77) S1PR2KCNH2L3MBTL1MAPTKDM4E
SCHEMBL23908914 0.88 S1PR2 (0.84) S1PR2KCNH2L3MBTL1MAPTALDH1A1
SCHEMBL23908869 0.82 S1PR2 (0.79) S1PR2KCNH2TSHRAKR1B1
SCHEMBL23909026 0.79 S1PR2 (0.70) S1PR2KCNH2L3MBTL1MAPT
SCHEMBL28377846 0.79 S1PR2 (0.82) S1PR2KCNH2
SCHEMBL23915245 0.79 S1PR2 (0.82) S1PR2KCNH2
SCHEMBL23908786 0.79 S1PR2 (1.00) S1PR2KCNH2KDM4E
SCHEMBL23908784 0.79 S1PR2 (1.00) S1PR2KCNH2KDM4E
SCHEMBL23908831 0.79 S1PR2 (1.00) S1PR2KCNH2KDM4E
SCHEMBL23915597 0.79 S1PR2 (0.70) S1PR2KCNH2L3MBTL1MAPTALDH1A1

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 3/4885KCNH2 1865/4885L3MBTL1 2938/4885

“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.