SCHEMBL7089421

SCHEMBL7089421

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.41
TNFRSF1A P19438 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.36
PTGS1 P23219 2/20 0.36
ADK P55263 1/20 0.35
DHODH Q02127 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TACR3 P29371 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TACR2 P21452 1/20 0.34

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
SCHEMBL7085296 0.90 PTGER2 (0.40) PTGER2TNFRSF1AABL1BCRPOLB
SCHEMBL7085151 0.89 PTGS2 (0.41) PTGS1
SCHEMBL7090744 0.84 SLC6A4 (0.41) ABL1SLC6A4SLC6A3HDAC1HDAC6
SCHEMBL7486572 0.82 HCRTR1 (0.41) TNFRSF1APOLBHDAC1HDAC6MEN1
SCHEMBL7089414 0.81 PTGER2 (0.39) PTGER2TNFRSF1AABL1BCRPOLB
SCHEMBL7091362 0.73 PTGS2 (0.45)
SCHEMBL27858414 0.69 PTGER2 (0.53) PTGER2TNFRSF1AABL1BCRPOLB
SCHEMBL7085446 0.65 SLC6A4 (0.40) POLBSLC6A4SLC6A3
SCHEMBL7088117 0.65 ALDH1A1 (0.52) PTGS1SLC6A4SLC6A3KCNH2MEN1
SCHEMBL7089418 0.64 AKR1C3 (0.42) PTGS1SLC6A4SLC6A3CYP1A2CYP2C9

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 386/4885TNFRSF1A 2663/4885ABL1 327/4885

“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.