SCHEMBL19912152

SCHEMBL19912152

COC(=O)c1nc(-c2cccc(S(C)(C)C)c2)sc1NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
RAF1 P04049 1/20 0.36
LCK P06239 5/20 0.36
RXRA P19793 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATR Q13535 1/20 0.34
ALOX5 P09917 1/20 0.34
CYP17A1 P05093 1/20 0.34
KAT6A Q92794 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34

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
SCHEMBL20927172 0.91 LCK (0.36) L3MBTL1LCKHDAC6ALDH1A1KDM4E
SCHEMBL19899530 0.85 L3MBTL1 (0.41) L3MBTL1RAF1LCKTRPM8HDAC6
SCHEMBL19899715 0.84 L3MBTL1 (0.41) L3MBTL1RAF1LCKTRPM8HDAC6
SCHEMBL29450135 0.84 L3MBTL1 (0.41) L3MBTL1RAF1LCKTRPM8HDAC6
SCHEMBL15873244 0.78 PIM1 (0.40) L3MBTL1RAF1LCKATR
SCHEMBL27866744 0.77 ALDH1A1 (0.46) L3MBTL1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL18039588 0.76 TRPM8 (0.42) L3MBTL1LCKTRPM8ALDH1A1KDM4E
SCHEMBL2520688 0.76 USP30 (0.40) LCKHDAC6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2520080 0.76 KMT2A (0.45) LCKTRPM8KDM4ESMN1; SMN2
SCHEMBL2521682 0.76 KDM4E (0.48) L3MBTL1LCKTRPM8ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550117-B2 2-azabicyclo[3.1.0]hexan-3-one derivatives and methods of use GENENTECH, INC. (US) 2020-02-04 US disclosed
US-20190119274-A1 2-AZABICYCLO[3.1.0]HEXAN-3-ONE DERIVATIVES AND METHODS OF USE GENENTECH, INC. (US) 2019-04-25 US disclosed
WO-2018037059-A1 2-AZABICYCLO[3.1.0]HEXAN-3-ONE DERIVATIVES AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 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-10550117-B2 2-azabicyclo[3.1.0]hexan-3-one derivatives and methods of use NFKB2, NFKBIA, NFKB1 L3MBTL1 2274/4885RAF1 848/4885LCK 1643/4885
US-20190119274-A1 2-AZABICYCLO[3.1.0]HEXAN-3-ONE DERIVATIVES AND METHODS OF USE NFKB2, NFKBIA, NFKB1 L3MBTL1 2274/4885RAF1 848/4885LCK 1643/4885

“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.