SCHEMBL18851072

SCHEMBL18851072

COc1cc2c(cc1Cl)cc(-c1cc3ccc(Br)cc3[nH]1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 15/20 0.40
▸ ALDH3A1 P30838 1/20 0.37
▸ GAA P10253 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD2 P14416 1/20 0.34

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
SCHEMBL18851078 0.80 ACLY (0.35) ACLYGAA
SCHEMBL20545554 0.80 ACLY (0.40) ACLY
SCHEMBL18851357 0.80 ACLY (0.40) ACLY
SCHEMBL18851448 0.79 ACLY (0.34) ACLY
SCHEMBL18851100 0.77 ACLY (0.38) ACLYGAA
SCHEMBL18849023 0.74 AMY1A (0.42) —
SCHEMBL18851582 0.73 PPARG (0.46) ACLYALDH3A1GAA
SCHEMBL18851384 0.72 ALDH3A1 (0.39) ACLYALDH3A1GAA
SCHEMBL18851080 0.71 PPARG (0.48) ACLYALDH3A1GAA
SCHEMBL18824208 0.70 NOD2 (0.47) ALDH3A1

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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 — — US disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 — — WO 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 ACLY 1381/4885ALDH3A1 2482/4885GAA 111/4885

“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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