SCHEMBL2953017

SCHEMBL2953017

COc1cc(/C=C/C(=O)N2CCOCC2)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.66
KDM4E B2RXH2 3/20 0.59
KMT2A Q03164 3/20 0.59
APP P05067 2/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 1/20 0.54
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ACHE P22303 1/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
PTGS2 P35354 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL2953018 1.00 TRPV1 (0.66) TRPV1KDM4EKMT2AAPPHPGD
SCHEMBL2949537 0.87 TRPV1 (0.60) TRPV1KDM4EKMT2AAPPHPGD
SCHEMBL2949540 0.87 TRPV1 (0.60) TRPV1KDM4EKMT2AAPPHPGD
SCHEMBL9363901 0.82 TRPV1 (0.81) TRPV1KDM4EKMT2AAPPHPGD
SCHEMBL9364141 0.82 TRPV1 (0.81) TRPV1KDM4EKMT2AAPPHPGD
SCHEMBL2122038 0.80 TRPV1 (1.00) TRPV1KDM4EKMT2AAPPHPGD
SCHEMBL2122045 0.80 TRPV1 (1.00) TRPV1KDM4EKMT2AAPPHPGD
SCHEMBL2948248 0.75 FKBP1A (0.57) KDM4EKMT2AHPGDMEN1ALDH1A1
SCHEMBL15110741 0.75 TRPV1 (0.69) TRPV1KDM4EKMT2AAPPHPGD
SCHEMBL15110739 0.75 TRPV1 (0.69) TRPV1KDM4EKMT2AAPPHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 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 (3 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 TRPV1 4624/4885KDM4E 1911/4885KMT2A 2902/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 TRPV1 4689/4885KDM4E 1563/4885KMT2A 2895/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR TRPV1 4591/4885KDM4E 1143/4885KMT2A 2456/4885

“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.