SCHEMBL7089418

SCHEMBL7089418

Cc1ccc(C(O)C(=O)c2cccc(-c3ccc(F)cc3)c2-c2ccccc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
LMNA P02545 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 2/20 0.40
FABP2 P12104 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C4 P17516 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
AKR1C1 Q04828 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40

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
SCHEMBL7089414 0.85 PTGER2 (0.39) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL7090146 0.83 SLC6A4 (0.39) HTTMAPTSLC6A4SLC6A3
SCHEMBL7743744 0.82 CES2 (0.39) AKR1C3AKR1C2LMNASMN1; SMN2HTT
SCHEMBL7084405 0.81 ALDH1A1 (0.42) AKR1C3AKR1C2LMNASMN1; SMN2KMT2A
SCHEMBL7084396 0.80 PTGS2 (0.53) PTGS1PTGS2
SCHEMBL7090744 0.79 SLC6A4 (0.41) HTTMEN1KMT2AMAPTSLC6A4
SCHEMBL7089475 0.77 AKR1C3 (0.33) AKR1C3AKR1C2LMNASMN1; SMN2HTT
SCHEMBL7085178 0.75 PTGER2 (0.38) SMN1; SMN2MEN1KMT2AMAPTPTGS1
SCHEMBL8800486 0.70 CES2 (0.49) LMNAHTTNPSR1MEN1KMT2A
SCHEMBL30370009 0.69 BCAT2 (0.57) HTTMAPTPTGS1PTGS2SLC6A4

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
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP 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 423/4885LMNA 3992/4885

“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.