SCHEMBL7040706

SCHEMBL7040706

CSc1ncccc1OCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1.[LiH]

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.61
PPARA Q07869 4/20 0.55
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PYGL P06737 1/20 0.42
PYGM P11217 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7041215 0.99 PPARG (0.62) PPARGPPARAGAAKMT2ATP53
SCHEMBL7150770 0.91 PPARG (0.55) PPARGPPARAGAAKMT2ATP53
Lithium Ion SCHEMBL7040703 0.91 PPARG (0.69) PPARGPPARAGAAKMT2ATP53
SCHEMBL7036858 0.87 PPARG (0.58) PPARGPPARAGAATP53ATM
SCHEMBL7040943 0.86 PPARG (0.58) PPARGPPARATP53ATMHTT
SCHEMBL7038559 0.84 PPARG (0.59) PPARGPPARAGAAKMT2ATP53
SCHEMBL7035686 0.83 PPARG (0.60) PPARGPPARAGAAKMT2ATP53
SCHEMBL7040669 0.82 PPARG (0.59) PPARGPPARAGAATP53ATM
SCHEMBL7035613 0.82 PPARG (0.64) PPARGPPARAGAAKMT2ALMNA
SCHEMBL7040497 0.81 PPARG (0.80) PPARGPPARAKMT2ATP53NPC1

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-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US disclosed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 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-20030073862-A1 Compounds PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885GAA 1267/4885

“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.