SCHEMBL13503595

SCHEMBL13503595

COc1cccc(C=C2CCC(C(C)C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
PIM1 P11309 1/20 0.46
AKR1B1 P15121 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
EGFR P00533 1/20 0.46
HSP90AA1 P07900 1/20 0.45
CCR6 P51684 1/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CHRM5 P08912 1/20 0.44
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL13503719 0.84 PIM1 (0.48) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13503972 0.84 NPC1 (0.51) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13503571 0.83 KMT2A (0.48) NPC1RAB9APIM1AKR1B1PIM2
SCHEMBL17684314 0.80 EGFR (0.57) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13504055 0.79 CYP1A2 (0.45) PIM1PIM2EGFRALDH1A1CHRM5
SCHEMBL13503568 0.76 CISD1 (0.45) PIM1PIM2NFE2L2
SCHEMBL27233568 0.76 HTR2C (0.50) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17899517 0.75 EGFR (0.60) NPC1RAB9ACASP3SENP8SENP7
Hydrochloric Acid SCHEMBL6393096 0.75 HTR2C (0.51) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL23842731 0.72 PIM1 (0.52) NPC1RAB9ACASP3SENP8SENP7

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-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 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 NPC1 1851/4885RAB9A 4506/4885CASP3 5/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD NPC1 2295/4885RAB9A 4492/4885CASP3 5/4885

“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.