SCHEMBL3281999

SCHEMBL3281999

CC(=O)Oc1ccc(Cl)cc1C(=O)NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 4/20 0.56
RHOA P61586 4/20 0.56
TMPRSS4 Q9NRS4 5/20 0.51
P2RX1 P51575 4/20 0.51
P2RX4 Q99571 2/20 0.51
P2RX7 Q99572 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
MYLK Q15746 1/20 0.51
MAP4K5 Q9Y4K4 1/20 0.51
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 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
SCHEMBL130511 0.88 TMPRSS4 (0.65) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL16707260 0.84 TMPRSS4 (0.60) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL3282289 0.82 TMPRSS4 (0.75) RHOCRHOATMPRSS4P2RX1P2RX4
SCHEMBL6102843 0.80 TMPRSS4 (0.58) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL6103043 0.79 P2RX1 (0.54) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL3497425 0.78 TMPRSS4 (0.64) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330156 0.78 NR1H4 (0.60) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL4498846 0.77 TMPRSS4 (0.62) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL6103412 0.77 TMPRSS4 (0.54) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL3277394 0.77 PSMB5 (0.50) TMPRSS4P2RX1P2RX4P2RX7MEN1

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 RHOC 2810/4885RHOA 1520/4885TMPRSS4 3777/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 RHOC 4799/4885RHOA 3677/4885TMPRSS4 3657/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 RHOC 4593/4885RHOA 2455/4885TMPRSS4 4322/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT RHOC 4591/4885RHOA 2412/4885TMPRSS4 4304/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 RHOC 4317/4885RHOA 1237/4885TMPRSS4 3386/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR RHOC 4625/4885RHOA 2590/4885TMPRSS4 4402/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR RHOC 4617/4885RHOA 2658/4885TMPRSS4 4368/4885

“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.