SCHEMBL6336676

SCHEMBL6336676

COc1ccc(-c2sc(-c3ccc(SC(C)(C)C(=O)O)cc3)nc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.44
▸ GUSB P08236 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ PPARA Q07869 5/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HPGD P15428 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
SCHEMBL6336404 0.91 MAPT (0.42) SLC22A12LMNAKDM4EPOLBMAPT
SCHEMBL6330961 0.91 STAT3 (0.47) SLC22A12LMNAKDM4EPOLBMAPT
SCHEMBL6327399 0.91 ALOX5 (0.47) SLC22A12LMNAKDM4EPOLBMAPT
SCHEMBL6328035 0.91 ALOX5 (0.47) SLC22A12LMNAKDM4EPOLBMAPT
SCHEMBL6330012 0.90 MEN1 (0.48) SLC22A12LMNAMAPTSTAT3PPARA
SCHEMBL6327314 0.88 TP53 (0.47) LMNAKDM4EMAPTSTAT3PPARA
SCHEMBL6326381 0.87 TP53 (0.45) LMNAMAPTSTAT3PPARAPPARG
SCHEMBL6328043 0.86 STAT3 (0.47) LMNAKDM4EMAPTSTAT3PPARA
SCHEMBL6327984 0.85 PPARA (0.54) MAPTSTAT3PPARAPPARGPPARD
SCHEMBL6326299 0.84 XDH (0.47) SLC22A12LMNAKDM4ECYP1A2POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 — — 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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC SLC22A12 2292/4885GUSB 3420/4885LMNA 2130/4885

“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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