SCHEMBL3277598

SCHEMBL3277598

CC(=O)Oc1ccc(Cl)cc1C(=O)Nc1cccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.52
NPY5R Q15761 1/20 0.47
TRPC1 P48995 1/20 0.47
TRPC3 Q13507 1/20 0.47
STIM1 Q13586 1/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
THRB P10828 1/20 0.44
NR1H4 Q96RI1 1/20 0.43

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 0.90 ORAI1 (0.66) ORAI1TRPC1TRPC3STIM1TP53
SCHEMBL3279081 0.85 P2RX1 (0.60) ORAI1TRPC1TRPC3STIM1MEN1
SCHEMBL3278096 0.83 ORAI1 (0.66) ORAI1TRPC1TRPC3STIM1TP53
SCHEMBL7319733 0.79 MAPT (0.71) ORAI1TRPC1TRPC3STIM1TP53
SCHEMBL7327295 0.79 ORAI1 (0.54) ORAI1NPY5RTRPC1TRPC3STIM1
SCHEMBL7322486 0.77 ORAI1 (0.58) ORAI1TRPC1TRPC3STIM1TP53
SCHEMBL7320744 0.75 ORAI1 (0.74) ORAI1TRPC1TRPC3STIM1TP53
SCHEMBL7323117 0.75 ORAI1 (0.68) ORAI1TRPC1TRPC3STIM1TP53
SCHEMBL7326083 0.74 CRACR2A (0.57) ORAI1TRPC1TRPC3STIM1TP53
SCHEMBL7327760 0.74 TRPV1 (0.62) ORAI1TRPV1

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-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS 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 3947/4885NPY5R 4536/4885TRPC1 2597/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 ORAI1 4425/4885NPY5R 356/4885TRPC1 4178/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ORAI1 917/4885NPY5R 556/4885TRPC1 1077/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT ORAI1 989/4885NPY5R 662/4885TRPC1 1340/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 ORAI1 376/4885NPY5R 1289/4885TRPC1 980/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ORAI1 1018/4885NPY5R 525/4885TRPC1 1159/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ORAI1 1034/4885NPY5R 620/4885TRPC1 1132/4885

“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.