SCHEMBL7085178

SCHEMBL7085178

Cc1ccc(C(O)C(=O)c2cccc(-c3ccc(F)cc3)c2-c2cccs2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.38
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
PTGS2 P35354 3/20 0.33
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
FTO Q9C0B1 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 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
SCHEMBL7089414 0.90 PTGER2 (0.39) PTGER2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7085296 0.82 PTGER2 (0.40) PTGER2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL7089418 0.75 AKR1C3 (0.42) SLC6A4SLC6A3MEN1KMT2AMAPT
SCHEMBL7089421 0.73 PTGER2 (0.41) PTGER2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL7084405 0.73 ALDH1A1 (0.42) SLC6A4SLC6A3KMT2AMAPTPTGS2
SCHEMBL7090146 0.71 SLC6A4 (0.39) SLC6A4SLC6A3MAPTCHRM1
SCHEMBL7743744 0.70 CES2 (0.39) SLC6A4SLC6A3MEN1KMT2AMAPT
SCHEMBL7089475 0.67 AKR1C3 (0.33) SLC6A4SLC6A3MEN1KMT2AMAPT
SCHEMBL27858414 0.67 PTGER2 (0.53) PTGER2MEN1KMT2AMAPTGAA
SCHEMBL6300223 0.66 KCNH2 (0.50) KCNH2MEN1KMT2AMAPTGAA

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 386/4885SLC6A4 2737/4885SLC6A3 3343/4885

“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.