SCHEMBL3277833

SCHEMBL3277833

FC(F)(F)c1cc(-c2ccccc2)n(-c2c[c]ccc2)n1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.74
PTGS2 P35354 7/20 0.56
PDPK1 O15530 3/20 0.54
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NR3C2 P08235 1/20 0.46
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL6175728 0.90 PTGS1 (0.58) PTGS1PTGS2PDPK1NR3C2CYP2C9
SCHEMBL5800787 0.88 PTGS2 (0.58) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL6451398 0.85 PTGS1 (1.00) PTGS1PTGS2PDPK1MAPTSMN1; SMN2
SCHEMBL3281711 0.85 PTGS1 (0.80) PTGS1PTGS2PDPK1MAPTCYP2C9
SCHEMBL6268360 0.81 PTGS2 (0.69) PTGS1PTGS2PDPK1NR3C2CYP2C9
SCHEMBL3284909 0.80 KDM4E (0.46) PTGS1PTGS2MAPTTP53THRB
SCHEMBL6094805 0.79 MAPT (0.45) PTGS1PTGS2MAPTCYP2C9
Sulfamide SCHEMBL7139961 0.78 PTGS1 (0.83) PTGS1PTGS2PDPK1CYP2C9
SCHEMBL6191740 0.78 PTGS2 (0.71) PTGS1PTGS2CYP2C9
SCHEMBL2852425 0.77 PTGS1 (0.82) PTGS1PTGS2PDPK1MAPTSMN1; 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 CN disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
CN-100406006-C Therapeutic agent for skin pigmentation INST MED MOLECULAR DESIGN INC (JP) 2008-07-30 CN disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
CN-100379410-C Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-04-09 CN disclosed
CN-101103977-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-01-16 CN 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-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
CN-1826106-A Therapeutic agent for skin pigmentation INST MED MOLECULAR DESIGN INC (JP) 2006-08-30 CN disclosed
CN-1658854-A Immune related protein kinase inhibitors INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658850-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658872-A Antiallergic agent INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658849-A Inhibitors of AP-1 and NFAT activation INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN 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
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 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 (4 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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 PTGS1 89/4885PTGS2 219/4885PDPK1 4171/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR PTGS1 113/4885PTGS2 246/4885PDPK1 4198/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR PTGS1 117/4885PTGS2 271/4885PDPK1 4194/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA PTGS1 1346/4885PTGS2 1676/4885PDPK1 3551/4885

“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.