SCHEMBL6097209

SCHEMBL6097209

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)c2OC(C)=O)=C(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 14/20 0.42
HTR2A P28223 1/20 0.37
TSPO P30536 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
THRB P10828 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL6097612 0.89 RXFP1 (0.41) RXFP1HTR2ATHRBNPC1RAB9A
SCHEMBL6095316 0.86 NPC1 (0.46) KDM4ENPC1MAPTRAB9A
SCHEMBL6095401 0.82 RXFP1 (0.43) RXFP1HTR2ATSPOGPR183APLNR
SCHEMBL6095797 0.82 CA1 (0.42) RXFP1HTR2ATSPOGPR183APLNR
SCHEMBL6095529 0.80 POLB (0.53) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6094093 0.80 MAPT (0.47) KDM4ENPC1USP2MAPTRAB9A
SCHEMBL6096744 0.78 KLKB1 (0.43) RXFP1CA1CA2CA7CA9
SCHEMBL6095574 0.78 P2RX1 (0.45) RXFP1THRBKDM4ENPC1MAPT
SCHEMBL6096506 0.77 KDM4E (0.50) THRBKDM4EMAPTHSD17B10
SCHEMBL6097419 0.76 P2RX1 (0.46) RXFP1HTR2ATHRBNPC1RAB9A

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 4462/4885HTR2A 4440/4885TSPO 1438/4885

“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.