SCHEMBL7090550

SCHEMBL7090550

COc1ccc(C(O)C(=O)c2cccc(-c3cc(C)cs3)c2-c2ccccc2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
DHODH Q02127 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TNFRSF1A P19438 2/20 0.34
CTSA P10619 3/20 0.33
USP2 O75604 1/20 0.33
TNF P01375 1/20 0.33
HTT P42858 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7085135 0.93 TNF (0.39) FABP3FABP4FABP5TNFRSF1ATNF
SCHEMBL7090216 0.89 CTSA (0.36) AKR1C3AKR1C2TNFRSF1ACTSAUSP2
SCHEMBL7091319 0.84 TTR (0.34) FABP3FABP4FABP5CTSAKDM4E
SCHEMBL7089475 0.83 AKR1C3 (0.33) AKR1C3AKR1C2SLC6A4SLC6A3HTT
SCHEMBL7087779 0.82 ALDH1A1 (0.44) KDM4EALDH1A1GAAMAPTTDP1
SCHEMBL7089403 0.82 ADORA3 (0.45) FABP3FABP4FABP5DHODHADORA3
SCHEMBL7085577 0.77 CES2 (0.49) FABP3FABP4FABP5TNFRSF1AUSP2
SCHEMBL7091527 0.73 TNFRSF1A (0.36) ADORA3TNFRSF1ACTSAHTTKDM4E
SCHEMBL7089313 0.73 RXFP1 (0.33) KDM4EALDH1A1GAA
SCHEMBL7084405 0.71 ALDH1A1 (0.42) AKR1C3AKR1C2SLC6A4SLC6A3FABP3

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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 AKR1C3 368/4885AKR1C2 423/4885SLC6A2 3911/4885

“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.