SCHEMBL7089414

SCHEMBL7089414

Cc1ccc(C(O)C(=O)c2cccc(-c3ccc(F)cc3)c2-c2cccs2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.39
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ABL1 P00519 2/20 0.34
DHODH Q02127 2/20 0.34
ADK P55263 1/20 0.34
TNFRSF1A P19438 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
FFAR1 O14842 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7085178 0.90 PTGER2 (0.38) PTGER2ABL1DHODHSLC6A4SLC6A3
SCHEMBL7089418 0.85 AKR1C3 (0.42) AKR1C3AKR1C2SLC6A4SLC6A3MEN1
SCHEMBL7089421 0.81 PTGER2 (0.41) PTGER2ABL1DHODHADKTNFRSF1A
SCHEMBL7743744 0.74 CES2 (0.39) AKR1C3AKR1C2DHODHSLC6A4SLC6A3
SCHEMBL7085296 0.73 PTGER2 (0.40) PTGER2ABL1DHODHTNFRSF1ASLC6A4
SCHEMBL7085151 0.71 PTGS2 (0.41)
SCHEMBL7089475 0.69 AKR1C3 (0.33) AKR1C3AKR1C2SLC6A4SLC6A3MEN1
SCHEMBL27858414 0.69 PTGER2 (0.53) PTGER2ABL1DHODHTNFRSF1AMEN1
SCHEMBL7090146 0.68 SLC6A4 (0.39) SLC6A4SLC6A3MAPT
SCHEMBL7084405 0.67 ALDH1A1 (0.42) AKR1C3AKR1C2SLC6A4SLC6A3KMT2A

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 PTGER2 386/4885AKR1C3 368/4885AKR1C2 423/4885

“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.