SCHEMBL6833683

SCHEMBL6833683

CC(C)(C)c1ccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)[nH]c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.48
PPARG P37231 4/20 0.43
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.43
NLRP3 Q96P20 1/20 0.41
SERPINE1 P05121 1/20 0.41
CACNA1H O95180 1/20 0.40
EPHX2 P34913 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL6833337 0.92 RXFP1 (0.45) NR1H4PPARGPPARAPPARDNLRP3
SCHEMBL6834072 0.92 ALDH1A1 (0.41) ALDH1A1
SCHEMBL6834504 0.91 LMNA (0.47) ALDH1A1
SCHEMBL6833766 0.90 PARP14 (0.43) NR1H4PPARGPPARAPPARDSERPINE1
SCHEMBL6834079 0.90 NHERF1 (0.44) SERPINE1ALDH1A1
SCHEMBL6835671 0.90 LMNA (0.39)
SCHEMBL6834134 0.89 IDO1 (0.43) NR1H4NLRP3CACNA1HALDH1A1
SCHEMBL6834350 0.89 ALDH1A1 (0.50) PPARDNLRP3HCAR2ALDH1A1
SCHEMBL6833113 0.89 SMN1; SMN2 (0.46) NLRP3ALDH1A1
SCHEMBL6834298 0.88 MEN1 (0.44) NR1H4PPARGPPARAPPARDNLRP3

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 NR1H4 1201/4885PPARG 285/4885PPARA 134/4885

“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.