SCHEMBL6094337

SCHEMBL6094337

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.43
RAB9A P51151 3/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 2/20 0.41
CFD P00746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL6095718 0.94 PKM (0.52) CCR5RAB9APKMSMN1; SMN2NPC1
SCHEMBL6098348 0.91 CCR5 (0.48) CCR5RAB9ANPC1CFDALDH1A1
SCHEMBL6097238 0.91 ALDH1A1 (0.46) RAB9APKMSMN1; SMN2NPC1MAPT
SCHEMBL6095530 0.91 ALDH1A1 (0.47) NPC1MAPTCFDALDH1A1HTT
SCHEMBL6095894 0.91 CA1 (0.42) CCR5RAB9APKMSMN1; SMN2NPC1
SCHEMBL6097613 0.90 KMT2A (0.47) RAB9APKMSMN1; SMN2NPC1MAPT
SCHEMBL6097641 0.89 PKM (0.43) CCR5RAB9APKMSMN1; SMN2NPC1
SCHEMBL6096112 0.88 PPARA (0.50) CCR5CFDALDH1A1HTTNPSR1
SCHEMBL6095243 0.88 KMT2A (0.46) CCR5RAB9APKMSMN1; SMN2NPC1
SCHEMBL6096541 0.88 SIRT2 (0.41) CCR5RAB9APKMSMN1; SMN2NPC1

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-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US claimed
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 US disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 EP 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-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB CCR5 4329/4885RAB9A 3710/4885PKM 3525/4885

“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.