SCHEMBL27351545

SCHEMBL27351545

CC(C)(C)OC(O)N1CCC(n2c(S(C)(=O)=O)nc3cc(F)ccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ PKM P14618 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CCR3 P51677 2/20 0.39
▸ CPT1A P50416 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ TRPV4 Q9HBA0 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
SCHEMBL27351573 0.87 HTT (0.36) HTTSMN1; SMN2MAPK1PKMALDH1A1
SCHEMBL27349812 0.82 GPR119 (0.51) HTTSMN1; SMN2MAPK1PKMALDH1A1
SCHEMBL27351608 0.81 CYP11B2 (0.36) HTTSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL27351538 0.76 CGAS (0.33) CYP11B2
SCHEMBL27349815 0.74 GPR119 (0.49) SMN1; SMN2CYP11B2GPR119
SCHEMBL27351552 0.73 CYP1A2 (0.37) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL27349825 0.71 GPR119 (0.42) HTTSMN1; SMN2MAPK1PKMALDH1A1
SCHEMBL27351563 0.70 ADORA2B (0.31) —
SCHEMBL13351422 0.69 SMN1; SMN2 (0.41) HTTSMN1; SMN2MAPK1PKMALDH1A1
SCHEMBL13319304 0.68 CYP3A4 (0.53) HTTSMN1; SMN2MAPK1ALDH1A1GAA

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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