SCHEMBL23908877

SCHEMBL23908877

CCOc1cc2cn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 14/20 1.00
KCNH2 Q12809 1/20 0.59
ALOX15 P16050 1/20 0.50
CMA1 P23946 2/20 0.45
AKR1B1 P15121 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL23908853 0.96 S1PR2 (1.00) S1PR2KCNH2ALOX15CMA1TSHR
SCHEMBL23908927 0.89 S1PR2 (0.80) S1PR2KCNH2ALOX15CMA1AKR1B1
SCHEMBL23908994 0.89 S1PR2 (0.79) S1PR2KCNH2ALOX15AKR1B1TSHR
SCHEMBL23908869 0.89 S1PR2 (0.79) S1PR2KCNH2ALOX15CMA1AKR1B1
SCHEMBL23908854 0.88 S1PR2 (1.00) S1PR2KCNH2ALOX15AKR1B1
SCHEMBL23909047 0.83 S1PR2 (0.71) S1PR2KCNH2ALOX15CMA1TSHR
SCHEMBL23908849 0.83 S1PR2 (0.70) S1PR2KCNH2ALOX15CMA1TSHR
SCHEMBL23915495 0.81 S1PR2 (0.88) S1PR2KCNH2
SCHEMBL23966899 0.80 S1PR2 (0.81) S1PR2KCNH2
SCHEMBL28380866 0.79 S1PR2 (0.75) S1PR2KCNH2

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 8 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 claimed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US claimed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN claimed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
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
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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 1865/4885ALOX15 329/4885

“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.