SCHEMBL2317890

SCHEMBL2317890

CCN(C(=O)Cn1c(-c2ccc(F)cc2)ccc(NC(=O)[C@H](C)NC)c1=O)C1CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.47
BIRC3 Q13489 4/20 0.36
BIRC2 Q13490 4/20 0.36
ELANE P08246 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
PDPK1 O15530 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2317891 1.00 XIAP (0.47) XIAPBIRC3BIRC2ELANEMEN1
SCHEMBL2317902 1.00 XIAP (0.47) XIAPBIRC3BIRC2ELANEMEN1
SCHEMBL2319275 0.92 XIAP (0.40) XIAPELANEMEN1KMT2AALDH1A1
SCHEMBL2319278 0.92 XIAP (0.40) XIAPELANEMEN1KMT2AALDH1A1
SCHEMBL2319283 0.92 XIAP (0.40) XIAPELANEMEN1KMT2AALDH1A1
SCHEMBL2208710 0.89 XIAP (0.44) XIAPBIRC3BIRC2ELANEMEN1
SCHEMBL2208704 0.89 XIAP (0.44) XIAPBIRC3BIRC2ELANEMEN1
SCHEMBL2208708 0.89 XIAP (0.44) XIAPBIRC3BIRC2ELANEMEN1
SCHEMBL2319611 0.87 XIAP (0.46) XIAPBIRC3BIRC2MEN1KMT2A
SCHEMBL2319617 0.87 XIAP (0.46) XIAPBIRC3BIRC2MEN1KMT2A

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
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US claimed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US claimed
US-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
US-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 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-20090069294-A1 Organic Compounds XIAP, BAX, MCL1 XIAP 1/4885BIRC3 9/4885BIRC2 17/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 XIAP 1/4885BIRC3 9/4885BIRC2 17/4885

“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.