SCHEMBL23909158

SCHEMBL23909158

O=C(O)Cn1nc(Cn2cc3cc(OCC(F)F)c(Br)cc3n2)c2ccccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.64
KCNH2 Q12809 1/20 0.46
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.42
CMA1 P23946 2/20 0.41
AKR1B1 P15121 5/20 0.41
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL23908869 0.90 S1PR2 (0.79) S1PR2KCNH2ALOX15TSHRCMA1
SCHEMBL23915361 0.90 S1PR2 (0.54) S1PR2KCNH2ALOX15AKR1B1CYP1A2
SCHEMBL23908927 0.89 S1PR2 (0.80) S1PR2KCNH2ALOX15TSHRCMA1
SCHEMBL23908844 0.87 S1PR2 (0.61) S1PR2KCNH2ALOX15TSHRCMA1
SCHEMBL23908884 0.85 S1PR2 (0.81) S1PR2KCNH2ALOX15TSHRCMA1
SCHEMBL23915359 0.79 S1PR2 (0.66) S1PR2KCNH2ALOX15TSHRCMA1
SCHEMBL23908877 0.78 S1PR2 (1.00) S1PR2KCNH2ALOX15TSHRCMA1
SCHEMBL23908994 0.78 S1PR2 (0.79) S1PR2KCNH2ALOX15TSHRAKR1B1
SCHEMBL23966613 0.77 S1PR2 (0.52) S1PR2KCNH2ALOX15AKR1B1KMT2A
SCHEMBL23908853 0.76 S1PR2 (1.00) S1PR2KCNH2ALOX15TSHRCMA1

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 4 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
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

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.