SCHEMBL7090705

SCHEMBL7090705

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
HTT P42858 2/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.59
AR P10275 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ACHE P22303 1/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
TUBB1 Q9H4B7 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL7735929 0.87 RAB9A (0.55) RAB9AHTTLMNAMAPK1AR
SCHEMBL7084463 0.82 CES2 (0.68) RAB9AMEN1KMT2ACES2CES1
SCHEMBL6167104 0.82 HTT (0.52) RAB9AHTTLMNAMAPK1AR
SCHEMBL7084274 0.81 HTT (0.51) RAB9AHTTLMNAMAPK1AR
SCHEMBL2894292 0.78 LMNA (0.47) RAB9AHTTLMNAMAPK1AR
SCHEMBL8138571 0.78 CES2 (0.50) RAB9AHTTLMNAMAPK1AR
SCHEMBL28217099 0.77 HTT (0.76) RAB9AHTTLMNAMAPK1MEN1
SCHEMBL5859663 0.76 PLK1 (0.61) RAB9AHTTLMNAMEN1KMT2A
SCHEMBL503994 0.75 HTT (1.00) RAB9AHTTLMNAMAPK1TAS1R3
SCHEMBL7089298 0.75 CES2 (0.73) RAB9ALMNAMAPK1MEN1KMT2A

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 7 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
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 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 RAB9A 3539/4885HTT 1363/4885LMNA 3992/4885

“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.