SCHEMBL26912899

SCHEMBL26912899

O=S(=O)(c1ccccc1)n1cc(Br)c2ccc(Cl)c(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL26912429 0.79 HTR6 (0.43) HTR6CYP3A4HTR2AHTR2CHTR2B
SCHEMBL26912550 0.76 HTR6 (0.41) HTR6CYP3A4HTR2AHTR2CHTR2B
SCHEMBL2111716 0.75 HTR6 (0.42) HTR6AKR1C3AKR1C1CA12CA9
SCHEMBL26913051 0.75 DCTPP1 (0.37) HTR6LMNAKMT2A
SCHEMBL26176383 0.73 CYP2C19 (0.40) HTR6CYP3A4HTR2AHTR2CHTR2B
SCHEMBL30399657 0.73 CYP2C19 (0.40) HTR6CYP3A4HTR2AHTR2CHTR2B
SCHEMBL25424146 0.73 CA1 (0.47) HTR6CA1CA2ALDH1A1TSHR
SCHEMBL13257980 0.72 CA1 (0.49) HTR6CA1CA2ALDH1A1HTT
SCHEMBL29651100 0.72 HTR6 (0.64) HTR6HTR2AAKR1C3AKR1C1CA12
SCHEMBL1996382 0.72 HTR6 (0.64) HTR6HTR2AAKR1C3AKR1C1CA12

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
WO-2023235809-A1 CGAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-12-07 — — WO disclosed
US-20230391786-A1 cGAS INHIBITORS ELI LILLY AND COMPANY 2023-12-07 — — 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-20230391786-A1 cGAS INHIBITORS CGAS, STING1, TBK1 HTR6 2549/4885CYP3A4 4141/4885HTR2A 3497/4885

“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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