SCHEMBL7087828

SCHEMBL7087828

Cc1csc(C(O)C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CES2 O00748 5/20 0.37
CES1 P23141 5/20 0.37
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNMA1 Q12791 1/20 0.35
MDM2 Q00987 1/20 0.35
DAO P14920 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL8154820 0.89 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL7508732 0.84 NPC1 (0.36) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9339627 0.82 ESR2 (0.43) SMN1; SMN2CES2CES1CYP1A2ALDH1A1
SCHEMBL8548715 0.81 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2ARAB9ACES2
SCHEMBL8815350 0.80 NR3C2 (0.40) MEN1KMT2ANPC1RAB9A
SCHEMBL5781172 0.79 MMP2 (0.38) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7833590 0.72 ALDH1A1 (0.38) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL7550562 0.71 ALOX5 (0.41) CES2CES1CYP1A2CA1CA2
SCHEMBL7087792 0.70 CES2 (0.53) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7843105 0.70 NPC1 (0.38) MEN1KMT2ANPC1RAB9ACES2

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 13 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-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP 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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 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
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 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 SMN1; SMN2 3814/4885MEN1 4791/4885KMT2A 2522/4885

“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.