Sugi Predict

Sugi Predict / Compounds / SCHEMBL2622154

SCHEMBL2622154

SCHEMBL2622154

N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)N[C@@H]1CCCc3ccccc31)CN2C(=O)C1CC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ EPHX1 P07099 1/20 0.43
▸ XIAP P98170 2/20 0.43
▸ BIRC3 Q13489 2/20 0.43
▸ DPP8 Q6V1X1 2/20 0.42
▸ TSHR P16473 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TAOK1 Q7L7X3 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TAOK3 Q9H2K8 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL2115132 1.00 ALDH1A1 (0.44) ALDH1A1CYP2D6SMN1; SMN2CYP3A4CYP2C9
SCHEMBL17554688 0.87 XIAP (0.48) ALDH1A1CYP2D6SMN1; SMN2CYP3A4CYP2C9
SCHEMBL17554687 0.86 XIAP (0.48) ALDH1A1CYP2D6SMN1; SMN2CYP3A4CYP2C9
SCHEMBL2631840 0.85 XIAP (0.63) XIAPBIRC3
SCHEMBL2115252 0.85 XIAP (0.63) XIAPBIRC3
SCHEMBL2113962 0.84 XIAP (0.46) ALDH1A1CYP2D6SMN1; SMN2CYP3A4CYP2C9
SCHEMBL2622153 0.84 XIAP (0.46) ALDH1A1CYP2D6SMN1; SMN2CYP3A4CYP2C9
SCHEMBL2622156 0.78 XIAP (0.45) ALDH1A1XIAPBIRC3HTT
SCHEMBL2117977 0.78 XIAP (0.45) ALDH1A1XIAPBIRC3HTT
SCHEMBL2632146 0.77 XIAP (0.65) XIAPBIRC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 — — US disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 — — US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 — — US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 — — US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 — — US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 — — US disclosed
WO-2010138496-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 — — WO 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-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ALDH1A1 4750/4885CYP2D6 4319/4885SMN1; SMN2 1032/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ALDH1A1 4750/4885CYP2D6 4319/4885SMN1; SMN2 1032/4885

“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.