SCHEMBL30195093

SCHEMBL30195093

N#Cc1cc(F)ccc1C(=O)CBr

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
GSK3B P49841 2/20 0.42
POLB P06746 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
P4HB P07237 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL16082919 1.00 PTPN1 (0.46) PTPN1GSK3BPOLBCES2CES1
SCHEMBL9821048 0.80 GSK3B (0.39) PTPN1GSK3BPOLBCES2CES1
SCHEMBL3418103 0.79 KEAP1 (0.48) POLBCES2CES1FFAR1FFAR4
SCHEMBL17099949 0.77 CES2 (0.42) POLBCES2CES1P4HB
SCHEMBL16051600 0.77 CYP1A2 (0.49) POLBCES2CES1P4HBCYP1A2
SCHEMBL29669985 0.77 CES2 (0.61) PTPN1CES2CES1KCNH2
SCHEMBL962932 0.77 CES2 (0.61) PTPN1CES2CES1KCNH2
SCHEMBL30195364 0.75 PTPN1 (0.52) PTPN1GSK3BCES2CES1SMN1; SMN2
SCHEMBL1701610 0.75 PTPN1 (0.52) PTPN1CES2CES1P4HBMEN1
SCHEMBL615669 0.75 PTPN1 (0.52) PTPN1GSK3BCES2CES1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022534-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2023-01-26 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-20230022534-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS ENPP2, TPX2, PRXL2A PTPN1 299/4885GSK3B 2149/4885POLB 1377/4885

“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.