Sugi Predict

Sugi Predict / Compounds / SCHEMBL3947482

SCHEMBL3947482

SCHEMBL3947482

COC(CCC(=O)c1cc(Br)ccn1)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ CTNNB1 P35222 2/20 0.33
▸ WNT3A P56704 2/20 0.33
▸ MITF O75030 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GRM4 Q14833 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL22547039 0.83 L3MBTL1 (0.48) ALDH1A1MEN1NPC1KMT2AGRM5
SCHEMBL3769821 0.78 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL20746212 0.77 SMN1; SMN2 (0.56) KDM4EALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL12227308 0.77 TRPA1 (0.37) KDM4EALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL568682 0.75 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL29488831 0.75 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL30260118 0.74 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2
SCHEMBL22026487 0.73 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL30620668 0.73 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL3949942 0.73 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MEN1NPC1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537846-B1 Intermediate compounds for preparing SMAC peptidomimetics NOVARTIS AG (CH) 2015-09-16 — — EP disclosed
EP-2537846-B1 Intermediate compounds for preparing SMAC peptidomimetics NOVARTIS AG (CH) 2015-09-16 — — EP disclosed
US-20140004101-A1 SMAC PEPTIDOMETICS USEFUL AS IAP INHIBITORS NOVARTIS AG (CH) 2014-01-02 — — US disclosed
US-8552003-B2 (S)-N-((S)-1-cyclohexyl-2-{(S)-2-[4-4-(4-fluorobenzoyl)-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-methylamino-propionamide, or pharmaceutically acceptable salts thereof and their uses NOVARTIS AG (CH) 2013-10-08 — — US disclosed
US-8552003-B2 (S)-N-((S)-1-cyclohexyl-2-{(S)-2-[4-4-(4-fluorobenzoyl)-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-methylamino-propionamide, or pharmaceutically acceptable salts thereof and their uses NOVARTIS AG (CH) 2013-10-08 — — US disclosed
US-8552003-B2 (S)-N-((S)-1-cyclohexyl-2-{(S)-2-[4-4-(4-fluorobenzoyl)-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-methylamino-propionamide, or pharmaceutically acceptable salts thereof and their uses NOVARTIS AG (CH) 2013-10-08 — — US disclosed
US-8546336-B2 SMAC peptidometics useful as IAP inhibitors NOVARTIS AG (CH) 2013-10-01 — — US disclosed
US-8546336-B2 SMAC peptidometics useful as IAP inhibitors NOVARTIS AG (CH) 2013-10-01 — — US disclosed
US-8546336-B2 SMAC peptidometics useful as IAP inhibitors NOVARTIS AG (CH) 2013-10-01 — — US disclosed
EP-2051990-B1 SMAC PEPTIDOMIMETICS USEFUL AS IAP INHIBITORS NOVARTIS AG (CH) 2013-02-06 — — EP disclosed
EP-2537846-A1 Organic compounds Novartis AG (CH) 2012-12-26 — — EP disclosed
EP-2537850-A1 Organic compounds Novartis AG (CH) 2012-12-26 — — EP disclosed
EP-2537846-A1 Organic compounds Novartis AG (CH) 2012-12-26 — — EP disclosed
EP-2537850-A1 Organic compounds Novartis AG (CH) 2012-12-26 — — EP disclosed
US-20110065726-A1 Organic Compounds NORVARTIS AG 2011-03-17 — — US disclosed
US-20110065726-A1 Organic Compounds NORVARTIS AG 2011-03-17 — — US disclosed
US-20110065726-A1 Organic Compounds NORVARTIS AG 2011-03-17 — — US disclosed
EP-2051990-A1 SMAC PEPTIDOMIMETICS USEFUL AS IAP INHIBITORS Novartis AG (CH) 2009-04-29 — — EP disclosed
WO-2008016893-A1 SMAC PEPTIDOMIMETICS USEFUL AS IAP INHIBITORS NOVARTIS AG (CH) 2008-02-07 — — WO disclosed
WO-2008016893-A1 SMAC PEPTIDOMIMETICS USEFUL AS IAP INHIBITORS NOVARTIS AG (CH) 2008-02-07 — — 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-20110065726-A1 Organic Compounds VHL, SLCO2B1, SLCO2A1 KDM4E 3140/4885ALDH1A1 39/4885SMN1; SMN2 1498/4885
US-20140004101-A1 SMAC PEPTIDOMETICS USEFUL AS IAP INHIBITORS BIRC5, BIRC2, BIRC7 KDM4E 2517/4885ALDH1A1 4228/4885SMN1; SMN2 181/4885

“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.