SCHEMBL27351552

SCHEMBL27351552

C[C@H]1CN(C(O)OC(C)(C)C)CC[C@@H]1n1c(S(C)(=O)=O)nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PIK3CB P42338 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ OGFRL1 Q5TC84 8/20 0.33
▸ OPRM1 P35372 7/20 0.33
▸ OPRD1 P41143 5/20 0.33
▸ OPRK1 P41145 4/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PER2 O15055 1/20 0.31
▸ CRY1 Q16526 1/20 0.31
▸ CRY2 Q49AN0 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ OPRL1 P41146 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
SCHEMBL27351563 0.87 ADORA2B (0.31) —
SCHEMBL27351573 0.87 HTT (0.36) TSHRLMNAPER2CRY1CRY2
SCHEMBL27351538 0.87 CGAS (0.33) —
SCHEMBL27351618 0.86 CGAS (0.31) —
SCHEMBL27349818 0.80 OPRM1 (0.45) OGFRL1OPRM1OPRD1OPRK1
SCHEMBL31634398 0.74 CYP1A2 (0.38) CYP1A2CYP2C19PIK3CBKMT2AOGFRL1
SCHEMBL27351545 0.73 HTT (0.44) KMT2ATSHRLMNAMEN1ALDH1A1
SCHEMBL27351608 0.73 CYP11B2 (0.36) POLBALDH1A1
SCHEMBL27349859 0.71 CYP1A2 (0.41) CYP1A2CYP2C19PIK3CBKMT2AOGFRL1
SCHEMBL27349882 0.70 CYP1A2 (0.35) CYP1A2CYP2C19PIK3CBOGFRL1OPRM1

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 CYP1A2 551/4885CYP2C19 607/4885PIK3CB 3326/4885

“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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