SCHEMBL26516698

SCHEMBL26516698

Cn1c(-c2ccc(S(=O)(=O)C3CC3)cc2)cc2ncc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.39
▸ PTGS2 P35354 4/20 0.36
▸ PTGS1 P23219 3/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ GCK P35557 1/20 0.33
▸ CCR6 P51684 2/20 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
SCHEMBL30475508 1.00 KCNH2 (0.39) KCNH2PTGS2PTGS1HPGDHTT
SCHEMBL26123559 0.84 IDO1 (0.48) PTGS2PTGS1IDO1
SCHEMBL26516702 0.81 CNR2 (0.38) KCNH2PRKDCCCR6
SCHEMBL26072738 0.74 KCNH2 (0.34) KCNH2PTGS2DRD2HTR2AHTR2C
SCHEMBL26122661 0.72 PIK3C3 (0.38) PTGS2PTGS1CCR6
SCHEMBL30360603 0.72 TLR9 (0.31) KCNH2GPR119DRD2
SCHEMBL26119405 0.69 PTGS2 (0.43) KCNH2PTGS2PTGS1HSD17B10IDO1
SCHEMBL26523822 0.66 PTGS2 (0.43) PTGS2HTTGPR119PRKDC
SCHEMBL30360598 0.65 MAP4K1 (0.48) —
SCHEMBL26121332 0.65 MAP4K1 (0.48) —

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
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — 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-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 KCNH2 3744/4885PTGS2 1138/4885PTGS1 611/4885

“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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