SCHEMBL1473993

SCHEMBL1473993

C=C(COC(C)=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SRD5A2 P31213 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
NR4A2 P43354 1/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL1474515 0.83 ALDH1A1 (0.58) HDAC1ALDH1A1LMNAMAPK1ALOX15
SCHEMBL161364 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TDP1RAB9A
SCHEMBL4874815 0.78 SMN1; SMN2 (0.43) ALDH1A1LMNARAB9ANPC1MAPT
SCHEMBL13685216 0.72 NR1H4 (0.50) HDAC1ALDH1A1LMNARAB9ANPC1
SCHEMBL7785831 0.72 HDAC1 (0.45) HDAC1ALDH1A1LMNAMAPK1ALOX15
SCHEMBL25161985 0.72 CYP1A2 (0.45) HDAC1ALDH1A1LMNAMAPK1ALOX15
SCHEMBL9997587 0.72 CYP1A2 (0.45) ALDH1A1LMNAMAPK1ALOX15APEX1
SCHEMBL9997585 0.72 CYP1A2 (0.45) ALDH1A1LMNAMAPK1ALOX15APEX1
SCHEMBL2092731 0.72 ALDH1A1 (0.60) ALDH1A1LMNARAB9ANPC1MAPT
SCHEMBL3084919 0.71 MAPT (0.58) HDAC1ALDH1A1RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC1 2450/4885ALDH1A1 1314/4885LMNA 1994/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 HDAC1 2480/4885ALDH1A1 1339/4885LMNA 2013/4885

“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.