SCHEMBL25680643

SCHEMBL25680643

Cc1cc(Oc2ccc(NS(=O)(=O)C3CC3)c(C)c2)c2cc(F)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ MRGPRX1 Q96LB2 6/20 0.39
▸ TSPO P30536 2/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CHRM4 P08173 1/20 0.38
▸ AXL P30530 2/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL1591382 0.92 AXL (0.44) SCN9AABL1MRGPRX1TSPOHRH1
SCHEMBL25679651 0.80 KDM4E (0.39) MRGPRX1HRH1MEN1KMT2ABRD4
SCHEMBL22436074 0.79 BRD4 (0.49) ATMAXLBRD4
SCHEMBL1591628 0.74 AXL (0.50) CYP1A2CYP2C19PDGFRAKDRAXL
SCHEMBL25679640 0.73 AXL (0.58) PDGFRAKDRAXL
SCHEMBL1592203 0.72 AXL (0.47) MRGPRX1PDGFRAKDRAXLMEN1
SCHEMBL1591137 0.72 PGR (0.50) ATMMEN1KMT2A
SCHEMBL1591224 0.72 FFAR1 (0.56) ATM
SCHEMBL1590993 0.72 AXL (0.46) AXLMEN1KMT2A
SCHEMBL1590968 0.72 AXL (0.49) AXLMEN1KMT2A

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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 — — 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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 SCN9A 3962/4885ABL1 747/4885MRGPRX1 1254/4885

“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.

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