SCHEMBL5860209

SCHEMBL5860209

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
PLA2G2A P14555 6/20 0.40
BRS3 P32247 3/20 0.40
HDAC7 Q8WUI4 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
TBXA2R P21731 1/20 0.39
MAPK1 P28482 1/20 0.39
AVPR2 P30518 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 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
SCHEMBL5859203 0.91 FOLH1 (0.51) PTPN1PTPN2PTPN6BRS3LMNA
SCHEMBL5859170 0.89 TBXAS1 (0.45) LMNAHTTCYP2C9KDM4EALDH1A1
SCHEMBL5858983 0.84 TSHR (0.46) LMNAMAPTHTTTDP1MAPK1
SCHEMBL6093775 0.84 PPARA (0.43) LMNAMAPTHTTTDP1PGR
SCHEMBL5859158 0.83 SMN1; SMN2 (0.55) BRS3LMNAMAPTHTTTDP1
SCHEMBL5859316 0.83 CYP1A2 (0.42) LMNACYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL5859000 0.82 CYP46A1 (0.42) BRS3LMNAMAPTHTTTDP1
SCHEMBL6096932 0.81 KLKB1 (0.55) LMNAMAPTHTTTDP1PGR
SCHEMBL6097508 0.81 CFD (0.48) LMNAMAPTHTTTDP1PGR
SCHEMBL5858838 0.81 SMN1; SMN2 (0.44) BRS3FOLH1KMT2A

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 PTPN1 3574/4885PTPN2 3536/4885PTPN6 3076/4885

“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.