SCHEMBL16780591

SCHEMBL16780591

COC(=O)c1ccc(CN[C@H](C)c2ccccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP4A11 Q02928 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SCN9A Q15858 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
SCHEMBL16780589 1.00 HIF1A (0.48) HIF1ACA1CA2POLBKMT2A
SCHEMBL17024693 0.90 LOXL2 (0.46) HIF1ACA1CA2POLBKMT2A
SCHEMBL17024692 0.90 LOXL2 (0.46) HIF1ACA1CA2POLBKMT2A
SCHEMBL15637757 0.86 HIF1A (0.53) HIF1APOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL17031938 0.86 HIF1A (0.50) HIF1APOLBKMT2AALDH1A1MEN1
SCHEMBL12686673 0.86 LOXL2 (0.50) HIF1APOLBKMT2AALDH1A1CYP4A11
SCHEMBL17024594 0.84 CA1 (0.48) CA1CA2POLBKMT2ACYP4A11
SCHEMBL17024591 0.84 CA1 (0.48) CA1CA2POLBKMT2ACYP4A11
SCHEMBL17024561 0.78 LMNA (0.56) CA1CA2POLBKMT2AALDH1A1
SCHEMBL17024559 0.78 LMNA (0.56) CA1CA2POLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603889-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
US-9603889-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
EP-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed
EP-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed
EP-2872521-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
US-9345740-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20150238558-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-20150238558-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-20150164974-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 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-20150164974-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 HIF1A 1778/4885CA1 3113/4885CA2 2599/4885
US-20150238558-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 HIF1A 1778/4885CA1 3113/4885CA2 2599/4885

“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.