SCHEMBL3278096

SCHEMBL3278096

CC(=O)Oc1cc(Cl)ccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.66
MAPT P10636 4/20 0.58
TP53 P04637 3/20 0.58
TRPC3 Q13507 3/20 0.56
TRPC1 P48995 1/20 0.56
STIM1 Q13586 1/20 0.56
TRPC5 Q9UL62 1/20 0.53
THRB P10828 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NR1H4 Q96RI1 1/20 0.46
CRACR2A Q9BSW2 3/20 0.45
PTGS2 P35354 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
AVPR2 P30518 1/20 0.42
GPR27 Q9NS67 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3281677 0.93 ORAI1 (0.66) ORAI1MAPTTP53TRPC3TRPC1
SCHEMBL7323117 0.90 ORAI1 (0.68) ORAI1MAPTTP53TRPC3TRPC1
SCHEMBL7319733 0.87 MAPT (0.71) ORAI1MAPTTP53TRPC3TRPC1
SCHEMBL3282201 0.84 ORAI1 (0.73) ORAI1MAPTTP53TRPC3TRPC1
SCHEMBL7326193 0.84 ORAI1 (0.73) ORAI1MAPTTP53TRPC3TRPC1
SCHEMBL7320744 0.83 ORAI1 (0.74) ORAI1MAPTTP53TRPC3TRPC1
SCHEMBL3277598 0.83 ORAI1 (0.52) ORAI1MAPTTP53TRPC3TRPC1
SCHEMBL3277387 0.82 ORAI1 (0.73) ORAI1MAPTTP53TRPC3TRPC1
SCHEMBL7318812 0.80 ORAI1 (0.67) ORAI1MAPTTP53TRPC3TRPC1
SCHEMBL5208645 0.80 ORAI1 (1.00) ORAI1MAPTTP53TRPC3TRPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 (7 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 ORAI1 3947/4885MAPT 2937/4885TP53 1193/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 ORAI1 4425/4885MAPT 3517/4885TP53 2579/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ORAI1 917/4885MAPT 2536/4885TP53 1951/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT ORAI1 989/4885MAPT 2797/4885TP53 2084/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 ORAI1 376/4885MAPT 3490/4885TP53 1196/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ORAI1 1018/4885MAPT 2469/4885TP53 1879/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ORAI1 1034/4885MAPT 2415/4885TP53 2004/4885

“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.