SCHEMBL18851080

SCHEMBL18851080

COc1cc2c(cc1Cl)cc(CO)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 13/20 0.48
▸ PPARA Q07869 10/20 0.48
▸ PPARD Q03181 7/20 0.48
▸ MTNR1B P49286 1/20 0.44
▸ ALDH3A1 P30838 1/20 0.44
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ACLY P53396 1/20 0.39

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
SCHEMBL18851582 0.88 PPARG (0.46) PPARGPPARAPPARDMTNR1BALDH3A1
SCHEMBL18824246 0.87 PPARG (0.47) PPARGPPARAPPARDMTNR1BALDH3A1
SCHEMBL18850582 0.84 PPARG (0.42) PPARGPPARAPPARDMTNR1BALDH3A1
SCHEMBL18850580 0.82 PPARG (0.43) PPARGPPARAPPARDMTNR1BALDH3A1
SCHEMBL18824208 0.81 NOD2 (0.47) PPARGPPARAPPARDMTNR1BALDH3A1
SCHEMBL16486365 0.78 PPARG (0.73) PPARGPPARAPPARDACLY
SCHEMBL17556132 0.78 PPARG (0.59) PPARGPPARAPPARDGAAACLY
SCHEMBL16235707 0.78 PPARG (0.59) PPARGPPARAPPARDGAAACLY
SCHEMBL27247090 0.76 PPARG (0.52) PPARGPPARAPPARDMAPT
SCHEMBL18416801 0.75 PPARG (0.70) PPARGPPARAPPARDALDH3A1ACLY

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 PPARG 1499/4885PPARA 2745/4885PPARD 3111/4885

“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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