SCHEMBL820456

SCHEMBL820456

CC(=O)n1cc(C[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ELANE P08246 2/20 0.40
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TACR3 P29371 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
GRIN2B Q13224 1/20 0.35
HDAC1 Q13547 2/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL375043 1.00 POLB (0.45) POLBELANETSHRL3MBTL1TACR3
SCHEMBL375113 0.89 ELANE (0.38) POLBELANE
SCHEMBL820670 0.85 ELANE (0.36) POLBELANE
SCHEMBL820247 0.79 MET (0.45) POLBGRIN2B
SCHEMBL820242 0.79 MET (0.45) POLBGRIN2B
SCHEMBL374971 0.79 MET (0.45) POLBGRIN2B
SCHEMBL10109808 0.79 MET (0.45) POLBGRIN2B
SCHEMBL820466 0.75 TSHR (0.45) TSHRL3MBTL1GRIN2B
SCHEMBL818648 0.75 TSHR (0.45) TSHRL3MBTL1GRIN2B
SCHEMBL9812772 0.74 POLB (0.50) POLBTSHRL3MBTL1PSEN1PSEN2

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-20110305777-A1 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-15 US disclosed
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
US-7985735-B2 mimetics of the activity of the N-terminal portion of Smac/tertiary binding structure to IAPs, can be combined with chemotherapeutic agents like topoisomerase inhibitors, kinase inhibitors, NSAIDs, taxanes and platinum containing compounds; increased cell permeability, water solubility; antitumor agents TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-07-26 US disclosed
US-20080020986-A1 DIMERIC IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2008-01-24 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-20080020986-A1 DIMERIC IAP INHIBITORS BIRC2, BIRC7, BIRC8 POLB 3555/4885ELANE 2407/4885TSHR 4493/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 POLB 3282/4885ELANE 616/4885TSHR 4584/4885
US-20110305777-A1 DIMERIC IAP ANTAGONISTS BIRC2, BIRC7, BIRC8 POLB 4023/4885ELANE 2140/4885TSHR 3943/4885

“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.