SCHEMBL6097419

SCHEMBL6097419

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2O)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PTGS1 P23219 1/20 0.44
RXFP1 Q9HBX9 6/20 0.43
EGLN1 Q9GZT9 1/20 0.42
P2RX7 Q99572 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
THRB P10828 1/20 0.41
PIM1 P11309 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 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
SCHEMBL6097612 0.88 RXFP1 (0.41) P2RX1SMN1; SMN2PTGS1RXFP1NPC1
SCHEMBL6094843 0.88 NPC1 (0.51) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL5860301 0.86 SMO (0.44) SMN1; SMN2RXFP1
SCHEMBL6095885 0.82 TMPRSS4 (0.50) P2RX1SMN1; SMN2PTGS1P2RX7P2RX4
SCHEMBL6097105 0.80 MEN1 (0.50) SMN1; SMN2NPC1RAB9ATP53CYP1A2
SCHEMBL6096132 0.80 POLB (0.52) SMN1; SMN2NPC1RAB9A
SCHEMBL6095729 0.78 HMGB1 (0.44) LMNACYP3A4THRBCYP2C9MAOA
SCHEMBL6096112 0.78 PPARA (0.50) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5860012 0.78 PPARA (0.46) SMN1; SMN2NPC1RAB9AAVPR2GPR27
SCHEMBL5862249 0.78 MTTP (0.45) SMN1; SMN2TP53AVPR2GPR27

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 P2RX1 4484/4885SMN1; SMN2 4307/4885PTGS1 83/4885

“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.