SCHEMBL27351573

SCHEMBL27351573

C[C@H]1CN(C(O)OC(C)(C)C)CC[C@@H]1n1c(S(C)(=O)=O)nc2cc(F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ PKM P14618 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ YEATS4 O95619 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ TBXA2R P21731 1/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.32
▸ GLA P06280 1/20 0.31
▸ UBE2N P61088 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CPT1A P50416 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ PER2 O15055 2/20 0.31

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
SCHEMBL27351538 0.89 CGAS (0.33) YEATS4KCNH2ADORA2B
SCHEMBL27351545 0.87 HTT (0.44) HTTSMN1; SMN2MAPK1PKMALDH1A1
SCHEMBL27351552 0.87 CYP1A2 (0.37) ALDH1A1PER2CRY1CRY2LMNA
SCHEMBL27351563 0.84 ADORA2B (0.31) PTGDR2ADORA2B
SCHEMBL27349825 0.81 GPR119 (0.42) HTTSMN1; SMN2MAPK1PKMALDH1A1
SCHEMBL27351618 0.79 CGAS (0.31) PTGDR2
SCHEMBL27349812 0.71 GPR119 (0.51) HTTSMN1; SMN2MAPK1PKMALDH1A1
SCHEMBL27351608 0.70 CYP11B2 (0.36) HTTSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL31727646 0.70 GPR119 (0.42) —
SCHEMBL27349808 0.70 GPR119 (0.42) —

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-20240208997-A1 CYCLIC BENZIMIDAZOLE DERIVATIVES AS CGAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-27 — — 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-20240208997-A1 CYCLIC BENZIMIDAZOLE DERIVATIVES AS CGAS INHIBITORS CGAS, STING1, IFNAR1 HTT 4565/4885SMN1; SMN2 3195/4885MAPK1 3694/4885

“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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