SCHEMBL2263302

SCHEMBL2263302

NC(CCCCNC1CCCCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.46
CXCR4 P61073 1/20 0.44
ARG2 P78540 4/20 0.42
ARG1 P05089 3/20 0.42
METAP1 P53582 1/20 0.42
ANPEP P15144 2/20 0.41
ERAP2 Q6P179 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DDAH1 O94760 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
OTC P00480 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
SCHEMBL2263297 1.00 GSR (0.46) GSRCXCR4ARG2ARG1METAP1
SCHEMBL2240987 0.92 GSR (0.50) GSRARG2ARG1METAP1DDAH1
SCHEMBL2240984 0.92 GSR (0.50) GSRARG2ARG1METAP1DDAH1
SCHEMBL2235591 0.86 METAP1 (0.50) GSRARG2ARG1METAP1DDAH1
SCHEMBL2235588 0.86 METAP1 (0.50) GSRARG2ARG1METAP1DDAH1
SCHEMBL4926549 0.79 CXCR4 (0.43) CXCR4METAP1ANPEPERAP2SMN1; SMN2
Lysine SCHEMBL2369399 0.79 GSR (0.62) GSRARG2ARG1
Lysine SCHEMBL2100363 0.79 GSR (0.62) GSRARG2ARG1
SCHEMBL2235419 0.79 METAP1 (0.45) GSRARG2ARG1METAP1ALDH1A1
SCHEMBL2235415 0.79 METAP1 (0.45) GSRARG2ARG1METAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2011104266-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-09-01 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 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-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 GSR 4037/4885CXCR4 4141/4885ARG2 3473/4885

“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.