SCHEMBL4778027

SCHEMBL4778027

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
PTPN1 P18031 1/20 0.43
HTR7 P34969 1/20 0.42
KMT2A Q03164 2/20 0.41
PAX8 Q06710 1/20 0.41
HSD11B1 P28845 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CTNNB1 P35222 2/20 0.39
PLOD2 O00469 1/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
WNT3A P56704 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL7832355 0.89 NPC1 (0.47) RAB9ANPC1KMT2ACTNNB1MEN1
SCHEMBL7568236 0.85 CES2 (0.43) RAB9ANPC1KMT2AMEN1L3MBTL1
SCHEMBL7832652 0.84 GSK3B (0.44) RAB9ANPC1KMT2AHSD11B1MEN1
SCHEMBL7850769 0.84 RAB9A (0.55) RAB9ANPC1KMT2AHSD11B1MEN1
SCHEMBL6168851 0.84 RAB9A (0.47) RAB9ANPC1PTPN1KMT2AMEN1
SCHEMBL7833284 0.84 KMT2A (0.48) RAB9ANPC1KMT2ACTNNB1MEN1
SCHEMBL7622865 0.82 TDP1 (0.50) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL7839557 0.82 NPC1 (0.51) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL7846518 0.78 CES2 (0.43) RAB9ANPC1KMT2AHSD11B1MEN1
SCHEMBL7746397 0.78 HDAC1 (0.43) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466897-B1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid DIPHARMA FRANCIS SRL (IT) 2008-12-17 EP disclosed
EP-1466897-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid Dipharma S.p.A. (IT) 2004-10-13 EP disclosed
US-6670365-B1 Treatment of inflamation and/or cyclooxygenase-mediated diseases, reduced ulcerogenic effects; 2-phenyl-3-(4-methylsulfonylphenyl)imidazo(1,2-a)pyrimidine LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-12-30 US disclosed
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-1104762-B1 SUBSTITUTED IMIDAZO[1,2A]AZINES AS SELECTIVE INHIBITORS OF COX-2 S A L V A T LAB SA (ES) 2002-09-18 EP 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-6294568-B1 ANTIINFLAMMATORY AGENTS AND ANTITUMOR AGENTS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENTS AND COX2 ENZYME INHIBITORS NISSIN FOOD PRODUCTS CO., LTD. (JP) 2001-09-25 US disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 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-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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
US-5082974-A 3-HALOGENO-2,3-DIPHENYLACRYLALDEHYDE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND A PHARMACEUTICAL COMPOSITION FOR TREATING HYPERLIPIDEMI OTSUKA PHARACEUTICAL FACTORY, INC. (JP) 1992-01-21 US disclosed
EP-0424541-A1 3-HALOGENO-2,3-DIPHENYLACRYLALDEHYDE DERIVATIVE, METHOD OF PRODUCTION THEREOF AND CURING AGENT FOR HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-05-02 EP 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 3539/4885NPC1 3307/4885PTPN1 702/4885

“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.