SCHEMBL27349882

SCHEMBL27349882

C=CCOCCC(=O)N1CC[C@@H](n2c(S(C)(=O)=O)nc3ccccc32)[C@H](C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ ITK Q08881 2/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ BRD4 O60885 1/20 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
SCHEMBL31634398 0.79 CYP1A2 (0.38) CYP1A2CYP2C19ALDH1A1KDM4ENPSR1
SCHEMBL27349818 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1OGFRL1
SCHEMBL27351552 0.70 CYP1A2 (0.37) CYP1A2CYP2C19ALDH1A1LMNAPIK3CB
SCHEMBL27349821 0.66 STS (0.42) —
SCHEMBL27349793 0.66 GPR119 (0.42) —
SCHEMBL31727646 0.66 GPR119 (0.42) —
SCHEMBL27349825 0.66 GPR119 (0.42) ALDH1A1KDM4EMAPK1
SCHEMBL27349808 0.66 GPR119 (0.42) —
SCHEMBL27349835 0.66 OPRM1 (0.57) LMNAOPRM1OPRD1OPRK1OGFRL1
SCHEMBL27349859 0.66 CYP1A2 (0.41) CYP1A2CYP2C19LMNAPIK3CBPOLB

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-20240208997-A1 CYCLIC BENZIMIDAZOLE DERIVATIVES AS CGAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-27 — — US disclosed
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 CYP1A2 551/4885CYP2C19 607/4885ALDH1A1 815/4885

“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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