SCHEMBL7084274

SCHEMBL7084274

COc1ccc(C(=O)C(O)c2ccc(SC)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 1/20 0.51
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
AR P10275 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL8138571 0.92 CES2 (0.50) HTTLMNAMAPK1RAB9ACES2
SCHEMBL25616875 0.88 CYP1A2 (0.49) LMNAMAPTSMN1; SMN2ALOX5ALDH1A1
SCHEMBL7084257 0.85 CES2 (0.69) LMNARAB9ACES2CES1SMN1; SMN2
SCHEMBL8148527 0.84 LMNA (0.60) HTTLMNAMAPK1RAB9ACES2
SCHEMBL25616696 0.83 MAPT (0.40) HTTLMNARAB9ACES2CES1
SCHEMBL24054984 0.83 ALOX5 (0.48) LMNAMAPTKMT2AALOX5ALDH1A1
SCHEMBL7090705 0.81 RAB9A (0.59) HTTLMNAMAPK1RAB9ACES2
SCHEMBL11186384 0.79 CES2 (0.53) HTTLMNARAB9ACES2CES1
SCHEMBL7084895 0.78 MAPT (0.48) LMNARAB9ACES2CES1MAPT
SCHEMBL25616698 0.78 BLM (0.43) HTTLMNARAB9ACES2CES1

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 8 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
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 US disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO 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 HTT 1363/4885LMNA 3992/4885MAPK1 1035/4885

“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.