SCHEMBL13503568

SCHEMBL13503568

CC(C)C1CCC(=Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 2/20 0.45
TTR P02766 1/20 0.45
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
NFE2L2 Q16236 1/20 0.42
FBP1 P09467 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
FAAH O00519 4/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
EPHX1 P07099 1/20 0.36
GALR3 O60755 1/20 0.36

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
SCHEMBL13681418 0.84 CISD1 (0.48) CISD1TTRPIM1PIM2NFE2L2
SCHEMBL13503719 0.83 PIM1 (0.48) PIM1PIM2FAAHEPHX1
SCHEMBL14627772 0.82 CISD1 (0.53) CISD1TTRPIM1PIM2NFE2L2
SCHEMBL17684723 0.79 CISD1 (0.50) CISD1TTRPIM1PIM2NFE2L2
SCHEMBL13504055 0.78 CYP1A2 (0.45) PIM1PIM2FBP1MAOBMAOA
SCHEMBL13503595 0.76 NPC1 (0.51) PIM1PIM2NFE2L2
SCHEMBL13503717 0.75 PIM1 (0.44) PIM1PIM2EPHX1
SCHEMBL13503689 0.74 NFE2L2 (0.38) NFE2L2
SCHEMBL13503639 0.72 MAPT (0.44) PIM1PIM2NFE2L2
SCHEMBL13503569 0.71 LMNA (0.30)

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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD CISD1 1229/4885TTR 3779/4885PIM1 2269/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD CISD1 1429/4885TTR 4428/4885PIM1 1732/4885

“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.