SCHEMBL4587731

SCHEMBL4587731

Cc1onc(-c2ccc(F)cc2)c1-c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.80
PTGS1 P23219 9/20 0.80
MT-CO2 P00403 3/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
LMNA P02545 1/20 0.62
CA3 P07451 1/20 0.62
ADRB2 P07550 1/20 0.62
ADRB1 P08588 1/20 0.62
CYP3A4 P08684 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CHRM1 P11229 1/20 0.62
ADRA2B P18089 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
SLC6A2 P23975 1/20 0.62
PDE4A P27815 1/20 0.62
ADORA1 P30542 1/20 0.62
CA5A P35218 1/20 0.62

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
SCHEMBL2277199 0.89 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL25149515 0.86 PTGS2 (0.86) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6193216 0.85 PTGS2 (0.72) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL1930392 0.84 L3MBTL1 (0.62) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5427092 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5428698 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4586525 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5694188 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562098 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6251637 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1

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
EP-1556364-A4 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP (KR) 2008-04-16 EP disclosed
CN-100357282-C Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP (KR) 2007-12-26 CN disclosed
CN-1705650-A Isothiazole derivatives, process for preparing the same, and pharmaceutical composition comprising the same CJ CORP (KR) 2005-12-07 CN disclosed
US-6967213-B2 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2005-11-22 US disclosed
EP-1556364-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ Corp. (KR) 2005-07-27 EP disclosed
WO-2004035553-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP. (KR) 2004-04-29 WO disclosed
US-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2004-04-15 US 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-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CYP3A5, CYP2C9, CYP2C19 PTGS2 152/4885PTGS1 31/4885MT-CO2 1679/4885

“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.