SCHEMBL6325131

SCHEMBL6325131

CN(C(=O)c1ccc(Cl)cc1Cl)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
PPARA Q07869 1/20 0.48
CYP3A4 P08684 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PSMB5 P28074 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6325127 1.00 TMEM97 (0.49) TMEM97SIGMAR1ADAMTS5PPARACYP3A4
SCHEMBL6324583 0.89 PPARG (0.43) TMEM97SIGMAR1ADAMTS5PPARACYP3A4
SCHEMBL6317869 0.85 PPARA (0.48) TMEM97SIGMAR1ADAMTS5PPARACYP3A4
SCHEMBL6317288 0.84 PPARA (0.46) TMEM97SIGMAR1PPARACYP3A4TSHR
SCHEMBL6316457 0.83 TMEM97 (0.46) TMEM97SIGMAR1ADAMTS5PPARACYP3A4
SCHEMBL6316450 0.83 TMEM97 (0.46) TMEM97SIGMAR1ADAMTS5PPARACYP3A4
SCHEMBL6317818 0.83 MMP12 (0.44) ADAMTS5NPC1RAB9ASMN1; SMN2
SCHEMBL6322860 0.81 PPARA (0.44) TMEM97SIGMAR1ADAMTS5PPARANPC1
SCHEMBL6319181 0.81 PPARA (0.44) TMEM97SIGMAR1ADAMTS5PPARACYP3A4
SCHEMBL6319175 0.81 PPARA (0.44) TMEM97SIGMAR1ADAMTS5PPARACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS TMEM97 2467/4885SIGMAR1 2656/4885ADAMTS5 1548/4885

“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.