SCHEMBL2965712

SCHEMBL2965712

COC1(Cc2ccccc2F)CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.46
BCL2 P10415 1/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41
USP2 O75604 3/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 3/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
RORC P51449 2/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RXRA P19793 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
SCHEMBL376911 0.90 PARP14 (0.45) BCL2L1BCL2MEN1KMT2AHTT
SCHEMBL376530 0.87 ALDH1A1 (0.44) BCL2L1BCL2MEN1KMT2AHTT
SCHEMBL386110 0.86 F2 (0.47) BCL2L1BCL2MEN1KMT2AHTT
SCHEMBL2964098 0.85 USP2 (0.47) BCL2L1BCL2MEN1KMT2AUSP2
SCHEMBL2948234 0.84 USP2 (0.46) BCL2L1BCL2MEN1KMT2AMAPT
SCHEMBL376529 0.84 BCL2L1 (0.40) BCL2L1BCL2MEN1KMT2AHTT
SCHEMBL13503798 0.83 ALDH1A1 (0.42) BCL2L1BCL2MEN1KMT2AHTT
SCHEMBL4639085 0.82 GAA (0.41) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2962385 0.81 KMT2A (0.38) BCL2L1BCL2MEN1KMT2AHTT
SCHEMBL376891 0.81 KDM4E (0.45) BCL2L1BCL2MEN1KMT2AHTT

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
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-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-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-20080194691-A1 Apoptosis Promoters ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 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-20080194691-A1 Apoptosis Promoters BAX, BCL2, BCOR BCL2L1 6/4885BCL2 2/4885MEN1 2677/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD BCL2L1 18/4885BCL2 2/4885MEN1 4383/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD BCL2L1 18/4885BCL2 2/4885MEN1 4383/4885

“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.