SCHEMBL13503593

SCHEMBL13503593

CC(C)C1CCC(=Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.44
AKR1C1 Q04828 2/20 0.41
PROKR1 Q8TCW9 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
P2RX3 P56373 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SRD5A2 P31213 1/20 0.33
MYC P01106 1/20 0.32
NAT1 P18440 1/20 0.32
MAX P61244 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL13681379 0.83 IGF1R (0.41) SLC6A2SLC6A4SLC6A3MAOBALDH1A1
SCHEMBL13504055 0.82 CYP1A2 (0.45) PIM1PIM2MAOBALDH1A1EGFR
SCHEMBL13503639 0.82 MAPT (0.44) PIM1PIM2ALDH1A1EGFRSRD5A2
SCHEMBL13503689 0.80 NFE2L2 (0.38) ALDH1A1SRD5A2
SCHEMBL13503975 0.79 AKR1C3 (0.47) AKR1C3AKR1C1PROKR1PIM1PIM2
SCHEMBL13503571 0.79 KMT2A (0.48) PIM1PIM2KDM4EALDH1A1EGFR
SCHEMBL13504037 0.79 MAPT (0.42) KDM4E
SCHEMBL13503847 0.79 ROCK2 (0.42) KDM4EALDH1A1GSK3B
SCHEMBL15282036 0.78 AKR1C3 (0.50) AKR1C3AKR1C1PROKR1PIM1PIM2
SCHEMBL13503570 0.76 MEN1 (0.34) ALDH1A1

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 8 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-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-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-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
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 AKR1C3 3893/4885AKR1C1 3559/4885PROKR1 2880/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD AKR1C3 3659/4885AKR1C1 3591/4885PROKR1 3736/4885

“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.