SCHEMBL3496754

SCHEMBL3496754

O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1OP(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.59
TMPRSS4 Q9NRS4 4/20 0.56
MAPT P10636 2/20 0.55
CHRNA7 P36544 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP3A4 P08684 5/20 0.52
CYP2C19 P33261 5/20 0.52
CYP1A2 P05177 4/20 0.52
CYP2C9 P11712 2/20 0.52
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
LMNA P02545 2/20 0.49
CYP2D6 P10635 3/20 0.48
P2RX1 P51575 2/20 0.46
P2RX4 Q99571 2/20 0.46
P2RX7 Q99572 2/20 0.46
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL6101867 0.90 TMPRSS4 (0.68) TRPV1TMPRSS4MAPTCHRNA7CYP3A4
SCHEMBL3497252 0.89 TRPV1 (0.57) TRPV1TMPRSS4MAPTCHRNA7TSHR
SCHEMBL6102085 0.85 P2RX1 (0.65) TMPRSS4CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL330635 0.84 TRPV1 (0.59) TRPV1TMPRSS4MAPTCHRNA7TSHR
SCHEMBL28359923 0.84 P2RX1 (0.64) TMPRSS4CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL3497966 0.82 LRRK2 (0.55) TRPV1TMPRSS4MAPTTSHRSMN1; SMN2
Acetic Acid SCHEMBL28870449 0.81 TMPRSS4 (0.60) TMPRSS4CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL330023 0.81 TMPRSS4 (0.83) TRPV1TMPRSS4CHRNA7TSHRSMN1; SMN2
SCHEMBL18073615 0.80 TMPRSS4 (0.56) TMPRSS4CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL16707255 0.80 TMPRSS4 (0.59) TMPRSS4CYP3A4CYP2C19CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 US disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 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 (2 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA TRPV1 1623/4885TMPRSS4 4278/4885MAPT 3363/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 TRPV1 2411/4885TMPRSS4 3984/4885MAPT 4188/4885

“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.