SCHEMBL7089475

SCHEMBL7089475

Cc1csc(-c2cccc(C(=O)C(O)c3ccc(F)cc3)c2-c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PTPN1 P18031 1/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
RAB9A P51151 1/20 0.32
NLRP3 Q96P20 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 2/20 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
SCHEMBL7091319 0.88 TTR (0.34) MAPTSMN1; SMN2NPSR1RAB9AL3MBTL1
SCHEMBL7087779 0.88 ALDH1A1 (0.44) MAPTSMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL7085135 0.84 TNF (0.39) MAPTHTTLMNASMN1; SMN2NPSR1
SCHEMBL7090550 0.83 AKR1C3 (0.37) AKR1C3AKR1C2MAPTHTTNPSR1
SCHEMBL7090216 0.83 CTSA (0.36) AKR1C3AKR1C2HTTKMT2AMEN1
SCHEMBL7089313 0.78 RXFP1 (0.33) LMNAKMT2AMEN1CES2CES1
SCHEMBL7090146 0.77 SLC6A4 (0.39) MAPTHTTSLC6A4SLC6A3L3MBTL1
SCHEMBL7089418 0.77 AKR1C3 (0.42) AKR1C3AKR1C2MAPTHTTLMNA
SCHEMBL7743744 0.76 CES2 (0.39) AKR1C3AKR1C2MAPTHTTLMNA
SCHEMBL7084396 0.74 PTGS2 (0.53) PTGS1PTGS2

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 423/4885MAPT 4666/4885

“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.