SCHEMBL17024591

SCHEMBL17024591

COC(=O)c1ccc(CNC(C)c2ccccc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
POLB P06746 3/20 0.47
CYP4A11 Q02928 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL17024594 1.00 CA1 (0.48) CA1CA2POLBCYP4A11NPC1
SCHEMBL15637982 0.86 POLB (0.52) POLBNPC1RAB9AADRB2ADRB1
SCHEMBL17031963 0.86 POLB (0.49) POLBRAB9AADRB2ADRB1MEN1
SCHEMBL16780591 0.84 HIF1A (0.48) CA1CA2POLBCYP4A11NPC1
SCHEMBL16780589 0.84 HIF1A (0.48) CA1CA2POLBCYP4A11NPC1
SCHEMBL5269060 0.81 CASR (0.56) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL31521347 0.80 CDC25A (0.49) CA1CA2POLBNPC1RAB9A
SCHEMBL8700888 0.80 ADRB2 (0.50) CA1CA2POLBCYP4A11RAB9A
SCHEMBL17024692 0.80 LOXL2 (0.46) CA1CA2POLBCYP4A11NPC1
SCHEMBL17024693 0.80 LOXL2 (0.46) CA1CA2POLBCYP4A11NPC1

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 3 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
EP-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed
US-20150238558-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 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 (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-20150238558-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 CA1 3113/4885CA2 2599/4885POLB 3811/4885

“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.