SCHEMBL10292602

SCHEMBL10292602

COC(=O)N[C@H](C(=O)N1c2ccccc2CC1C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
XIAP P98170 4/20 0.53
ALDH1A1 P00352 5/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MCL1 Q07820 1/20 0.47
PKM P14618 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL15765599 1.00 NOTUM (0.53) NOTUMXIAPALDH1A1TSHRMAPT
SCHEMBL18653162 0.88 MEN1 (0.49) XIAPALDH1A1TSHRMAPTL3MBTL1
SCHEMBL3265355 0.87 XIAP (0.52) XIAPALDH1A1MAPTLMNA
SCHEMBL7814933 0.86 XIAP (0.59) XIAP
SCHEMBL18653164 0.85 XIAP (0.50) XIAP
SCHEMBL20459295 0.83 XIAP (0.74) NOTUMXIAPALDH1A1MAPT
SCHEMBL14002986 0.77 NOTUM (0.67) NOTUMALDH1A1TSHRMAPTL3MBTL1
SCHEMBL8518559 0.77 NOTUM (0.67) NOTUMALDH1A1TSHRMAPTL3MBTL1
SCHEMBL9409870 0.76 XIAP (0.56) XIAP
SCHEMBL9409863 0.76 XIAP (0.56) XIAP

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
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 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-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NOTUM 2402/4885XIAP 196/4885ALDH1A1 2858/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NOTUM 2402/4885XIAP 196/4885ALDH1A1 2858/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NOTUM 2402/4885XIAP 196/4885ALDH1A1 2858/4885

“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.