SCHEMBL1476091

SCHEMBL1476091

C=C(C)c1ccc(C(C)(C)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.46
TRPV1 Q8NER1 2/20 0.35
TSHR P16473 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
CA2 P00918 1/20 0.33
HSD11B1 P28845 1/20 0.33
PTGS1 P23219 2/20 0.33
NQO2 P16083 1/20 0.33
PTGS2 P35354 1/20 0.33
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 3/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
MLYCD O95822 1/20 0.32
HDAC1 Q13547 1/20 0.31

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
SCHEMBL26474236 0.83 TSHR (0.35) TRPV1TSHRCES2CES1NR4A1
SCHEMBL15582362 0.82 HSD11B1 (0.46) HSD11B1
SCHEMBL13362289 0.82 PDE2A (0.48) PDE2ATRPV1CES2CES1HSD11B1
SCHEMBL20616201 0.81 CES2 (0.35) TRPV1TSHRCES2CES1NR4A1
SCHEMBL1474670 0.80 CES2 (0.54) TRPV1CES2CES1NR4A1NR4A2
SCHEMBL86047 0.79 NR1H3 (0.53) NR1H2NR1H3MLYCD
SCHEMBL20494379 0.79 MAOB (0.46) PDE2ATRPV1CES2CES1NR4A1
SCHEMBL11281234 0.78 ESR1 (0.43) TSHRNPC1MAPTRAB9AHDAC1
SCHEMBL465848 0.78 TSHR (0.52) TSHRNPC1MAPTRAB9AHDAC1
SCHEMBL6563424 0.76 TSHR (0.37) TSHRHSD11B1NPC1MAPTRAB9A

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-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed
US-7915448-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2011-03-29 US disclosed
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS PFIZER INC 2010-02-11 US disclosed
US-7622589-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2009-11-24 US disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 US 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-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 PDE2A 3868/4885TRPV1 104/4885TSHR 185/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 PDE2A 3858/4885TRPV1 106/4885TSHR 165/4885

“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.