SCHEMBL2964098

SCHEMBL2964098

COC1(Cc2ccccc2-c2ccccc2)CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 8/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 6/20 0.47
CYP3A4 P08684 5/20 0.47
TP53 P04637 2/20 0.47
CYP2D6 P10635 2/20 0.47
BCL2 P10415 3/20 0.46
BCL2L1 Q07817 2/20 0.46
HTR7 P34969 3/20 0.43
CYP1A2 P05177 4/20 0.42
HSD17B10 Q99714 5/20 0.41
CYP2C19 P33261 4/20 0.41
HPGD P15428 3/20 0.41
CYP2C9 P11712 3/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BAK1 Q16611 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL376696 0.88 F2 (0.45) USP2ALDH1A1MAPK1CYP3A4TP53
SCHEMBL2965712 0.85 BCL2L1 (0.46) USP2ALDH1A1MAPK1CYP3A4TP53
SCHEMBL2948234 0.83 USP2 (0.46) USP2ALDH1A1MAPK1CYP3A4TP53
SCHEMBL376939 0.82 MAPKAPK2 (0.45) USP2ALDH1A1MAPK1CYP3A4TP53
SCHEMBL2942401 0.78 USP2 (0.50) USP2ALDH1A1MAPK1CYP3A4TP53
SCHEMBL19424347 0.78 BCL2L1 (0.58) BCL2BCL2L1
SCHEMBL1540486 0.77 BCL2 (0.41) USP2ALDH1A1MAPK1CYP3A4TP53
SCHEMBL1540484 0.77 BCL2 (0.41) USP2ALDH1A1MAPK1CYP3A4TP53
SCHEMBL1540968 0.77 MAPKAPK2 (0.38) USP2ALDH1A1MAPK1CYP3A4TP53
SCHEMBL1540965 0.77 MAPKAPK2 (0.43) USP2ALDH1A1MAPK1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888543-B1 APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-08-01 EP disclosed
US-7777076-B2 Macrocyclic inhibitors of BCL proteins ABBOTT LABORATORIES (US) 2010-08-17 US disclosed
US-20080194691-A1 Apoptosis Promoters ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
EP-1888543-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-02-20 EP disclosed
WO-2006127364-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2006-11-30 WO 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 (1 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-20080194691-A1 Apoptosis Promoters BAX, BCL2, BCOR USP2 2188/4885ALDH1A1 2433/4885MAPK1 2240/4885

“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.