SCHEMBL18851582

SCHEMBL18851582

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 13/20 0.46
▸ PPARA Q07869 10/20 0.46
▸ PPARD Q03181 7/20 0.46
▸ ALDH3A1 P30838 1/20 0.44
▸ MTNR1B P49286 1/20 0.42
▸ ACLY P53396 1/20 0.39
▸ GAA P10253 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL18851080 0.88 PPARG (0.48) PPARGPPARAPPARDALDH3A1MTNR1B
SCHEMBL18824246 0.84 PPARG (0.47) PPARGPPARAPPARDALDH3A1MTNR1B
SCHEMBL18850582 0.84 PPARG (0.42) PPARGPPARAPPARDALDH3A1MTNR1B
SCHEMBL18850580 0.82 PPARG (0.43) PPARGPPARAPPARDALDH3A1MTNR1B
SCHEMBL18824208 0.78 NOD2 (0.47) PPARGPPARAPPARDALDH3A1MTNR1B
SCHEMBL378955 0.76 CA12 (0.51) PPARGPPARAPPARDTSHRMAPT
SCHEMBL17433482 0.74 PPARG (0.43) PPARGPPARAPPARDACLYSMN1; SMN2
SCHEMBL3525871 0.73 PPARG (0.59) PPARGPPARAPPARDMTNR1B
SCHEMBL18851072 0.73 ACLY (0.40) ALDH3A1ACLYGAA
SCHEMBL18851384 0.72 ALDH3A1 (0.39) ALDH3A1ACLYGAATSHRSMN1; SMN2

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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