SCHEMBL23305873

SCHEMBL23305873

Brc1cnc(C2=CCC3(CC2)OCCO3)s1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.31
▸ F2RL3 Q96RI0 1/20 0.31
▸ IKBKE Q14164 1/20 0.30
▸ TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL19984740 0.81 F2RL3 (0.32) F2RL3
SCHEMBL21273294 0.81 SUV39H2 (0.33) F2RL3IKBKETBK1
SCHEMBL23164753 0.76 IKBKE (0.34) F2RL3IKBKETBK1
SCHEMBL19984739 0.75 — —
SCHEMBL16793408 0.75 IKBKE (0.31) IKBKETBK1
SCHEMBL629668 0.74 PDPK1 (0.32) F2RL3IKBKETBK1
SCHEMBL21273287 0.73 F2RL3 (0.33) F2RL3
SCHEMBL26605652 0.71 SUV39H2 (0.33) F2RL3IKBKETBK1
SCHEMBL24130704 0.71 SNCA (0.35) SNCA
SCHEMBL23204566 0.70 BTK (0.34) F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929345-B Substituted pyrazole compounds as TOLL receptor inhibitors 百时美施贵宝公司 2024-07-23 — — CN disclosed
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 — — US disclosed
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 — — US disclosed
EP-4051388-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS Bristol-Myers Squibb Company (US) 2022-09-07 — — EP disclosed
CN-114929345-A Substituted pyrazole compounds as TOLL receptor inhibitors 百时美施贵宝公司 2022-08-19 — — CN disclosed
WO-2021087181-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-06 — — WO disclosed
WO-2021087181-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-06 — — WO 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-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS TLR1, TLR3, TLR9 SNCA 4288/4885F2RL3 219/4885IKBKE 522/4885

“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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