SCHEMBL5860012

SCHEMBL5860012

COC1=C(OC)C(=O)C(Cc2ccc(-c3ccccc3)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.46
MTTP P55157 10/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
AVPR2 P30518 1/20 0.42
GPR27 Q9NS67 1/20 0.42
APOB P04114 5/20 0.42
NR1H4 Q96RI1 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5860289 0.93 PPARA (0.43) PPARAMTTPGAASMN1; SMN2APOB
SCHEMBL5862249 0.93 MTTP (0.45) PPARAMTTPGAASMN1; SMN2POLB
SCHEMBL5859917 0.91 MAPT (0.48) PPARASMN1; SMN2
SCHEMBL5859153 0.89 GAA (0.56) GAAPOLBNR1H4KDM4ENPC1
SCHEMBL6095885 0.87 TMPRSS4 (0.50) PPARASMN1; SMN2AVPR2GPR27
SCHEMBL5862041 0.85 POLB (0.50) GAAPOLBKDM4ENPC1RAB9A
SCHEMBL6096112 0.84 PPARA (0.50) PPARAAVPR2GPR27KDM4E
SCHEMBL5859178 0.84 MAPT (0.48) SMN1; SMN2
SCHEMBL5859279 0.83 CYP3A4 (0.48) GAASMN1; SMN2POLBKDM4ENPC1
SCHEMBL5859065 0.82 GAA (0.47) GAASMN1; SMN2POLBKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 US disclosed
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP disclosed
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 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-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB PPARA 796/4885MTTP 3284/4885GAA 2007/4885

“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.