SCHEMBL6095401

SCHEMBL6095401

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
GPR27 Q9NS67 3/20 0.41
AVPR2 P30518 2/20 0.41
THRB P10828 1/20 0.39
HTR2A P28223 1/20 0.39
TSPO P30536 1/20 0.39
GPR183 P32249 1/20 0.39
APLNR P35414 1/20 0.39
NR1H4 Q96RI1 1/20 0.36
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6095797 0.93 CA1 (0.42) RXFP1CA1CA2CA7CA9
SCHEMBL6096744 0.88 KLKB1 (0.43) RXFP1CA1CA2CA7CA9
SCHEMBL6098023 0.87 CCR5 (0.48) RXFP1CA1CA2CA7CA9
SCHEMBL6095574 0.86 P2RX1 (0.45) RXFP1GPR27AVPR2THRBKIF11
SCHEMBL6097209 0.82 RXFP1 (0.42) RXFP1CA1CA2CA7CA9
SCHEMBL6096112 0.82 PPARA (0.50) GPR27AVPR2KDM4E
SCHEMBL6097523 0.81 LMNA (0.47) KDM4EMAPTSMN1; SMN2
SCHEMBL6095894 0.81 CA1 (0.42) CA1CA2CA7CA9NR1H4
SCHEMBL6096898 0.80 KDM4E (0.46) KDM4EMAPTSMN1; SMN2
SCHEMBL6098348 0.79 CCR5 (0.48) RXFP1KDM4ETP53

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 RXFP1 4462/4885CA1 4533/4885CA2 4053/4885

“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.