SCHEMBL2181228

SCHEMBL2181228

CCNC(=O)Nc1nc2c(F)c(-c3ccc(OC(CC)C(=O)O)cc3)cc(-c3ncccc3F)c2s1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ ABL1 P00519 9/20 0.38
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL2181072 0.93 PLAU (0.39) ABL1
SCHEMBL1843615 0.88 PPARG (0.42) PPARGPPARAABL1TP53MAPT
SCHEMBL1843794 0.87 ABL1 (0.47) ABL1SMN1; SMN2
SCHEMBL1842429 0.87 ABL1 (0.40) ABL1
Lithium SCHEMBL1842444 0.87 ABL1 (0.40) ABL1
SCHEMBL1841698 0.86 AKR1C3 (0.41) ABL1
SCHEMBL1843498 0.85 ABL1 (0.42) ABL1SMN1; SMN2
SCHEMBL1834899 0.84 ABL1 (0.41) ABL1SMN1; SMN2
SCHEMBL1844561 0.84 ABL1 (0.48) ABL1SMN1; SMN2
Lithium Ion SCHEMBL1842434 0.84 ABL1 (0.41) ABL1SMN1; 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — US claimed
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI PPARG 143/4885PPARA 201/4885ABL1 1206/4885

“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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