SCHEMBL10149308

SCHEMBL10149308

COc1cc(CN)ccc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
TSHR P16473 3/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DPP4 P27487 1/20 0.43
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL11211872 0.86 KDM4E (0.50) TSHRTAAR1MAPK1LMNAGLA
SCHEMBL20200250 0.86 PDCD1 (0.51) PDCD1CD274TSHRTAAR1MAPK1
SCHEMBL31280574 0.86 PDCD1 (0.51) PDCD1CD274TSHRTAAR1MAPK1
SCHEMBL13555256 0.86 TAAR1 (0.67) TSHRTAAR1MAPK1LMNAGLA
SCHEMBL12088053 0.85 TSHR (0.47) TSHRTAAR1MAPK1LMNAGLA
SCHEMBL16231315 0.83 PDCD1 (0.49) PDCD1CD274TSHRTAAR1MAPK1
SCHEMBL1848551 0.83 TAAR1 (0.52) TSHRTAAR1MAPK1LMNAGLA
SCHEMBL31435368 0.83 PDCD1 (0.49) PDCD1CD274TSHRTAAR1MAPK1
SCHEMBL1587262 0.81 PDCD1 (0.47) PDCD1CD274TSHRTAAR1MAPK1
SCHEMBL7470025 0.81 KDM4E (0.46) TSHRTAAR1MAPK1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827920-B2 Nanostructure, a biosensor including the nanostructure, and a screening method POSTECH Research and Business Development Foundation (KR) 2023-11-28 US disclosed
WO-2023201282-A1 NOVEL GSPT1 COMPOUNDS AND METHODS OF USE OF THE NOVEL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-19 WO disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
US-8835393-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-09-16 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20120270886-A1 INHIBITORS OF IAP KOEHLER MICHAEL F T (US) 2012-10-25 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-20110269696-A1 INHIBITORS OF IAPS GENENTECH INC. (US) 2011-11-03 US disclosed
US-20110218211-A1 AZAINDOLE INHIBITORS OF IAP GENENTECH, INC. (US) 2011-09-08 US disclosed
US-20110077265-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-03-31 US disclosed
US-20110046066-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-02-24 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 (8 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-20110269696-A1 INHIBITORS OF IAPS XIAP, BIRC5, BIRC3 PDCD1 692/4885CD274 2316/4885TSHR 3661/4885
US-20110046066-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 PDCD1 982/4885CD274 2031/4885TSHR 2216/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 PDCD1 1112/4885CD274 2167/4885TSHR 2845/4885
US-20120270886-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 PDCD1 1635/4885CD274 2592/4885TSHR 3278/4885
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 PDCD1 817/4885CD274 2444/4885TSHR 3064/4885
US-20110218211-A1 AZAINDOLE INHIBITORS OF IAP XIAP, BIRC5, API5 PDCD1 1281/4885CD274 2280/4885TSHR 3045/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 PDCD1 276/4885CD274 1543/4885TSHR 3205/4885
US-20110077265-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC2 PDCD1 1593/4885CD274 2835/4885TSHR 3557/4885

“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.