SCHEMBL12879876

SCHEMBL12879876

CC(C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
ATM Q13315 1/20 0.48
MME P08473 4/20 0.47
MMEL1 Q495T6 2/20 0.47
ACE P12821 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
APP P05067 3/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL20586743 1.00 PPARG (0.54) PPARGPPARAATMMMEMMEL1
SCHEMBL17157150 1.00 PPARG (0.54) PPARGPPARAATMMMEMMEL1
SCHEMBL17165123 0.90 PPARG (0.48) PPARGPPARAATMMEN1KMT2A
SCHEMBL12880113 0.90 PPARG (0.48) PPARGPPARAATMMEN1KMT2A
SCHEMBL17165122 0.90 PPARG (0.48) PPARGPPARAATMMEN1KMT2A
SCHEMBL30454910 0.86 PPARG (0.55) PPARGPPARAATMMEN1KMT2A
SCHEMBL2789835 0.85 PPARG (0.54) PPARGPPARAATMMMEMEN1
SCHEMBL2789840 0.85 PPARG (0.54) PPARGPPARAATMMMEMEN1
SCHEMBL2617240 0.85 PPARG (0.54) PPARGPPARAATMMMEMEN1
SCHEMBL15150564 0.85 ATM (0.53) PPARGPPARAATMMMEMMEL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10159745-B2 Tubulysin derivatives MEDIMMUNE, LLC (US) 2018-12-25 US disclosed
US-9580467-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof E. R. SQUIBB & SONS, L.L.C. (US) 2017-02-28 US disclosed
EP-3129362-A1 TUBULYSIN DERIVATIVES Medimmune, LLC (US) 2017-02-15 EP disclosed
US-20160339114-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2016-11-24 US disclosed
US-9427479-B2 Tubulysin derivatives MEDIMMUNE LLC (US) 2016-08-30 US disclosed
US-20160060294-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF E. R. SQUIBB & SONS, L.L.C. 2016-03-03 US disclosed
US-9226974-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof E. R. SQUIBB & SONS, L.L.C. (US) 2016-01-05 US disclosed
US-20150291657-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 US disclosed
WO-2015157594-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 WO disclosed
US-20140323690-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF E. R. SQUIBB & SONS, L.L.C. 2014-10-30 US disclosed
US-8802632-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-08-12 US disclosed
US-8772542-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-07-08 US disclosed
US-8772543-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-07-08 US disclosed
US-20130204033-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-08-08 US disclosed
US-20130189256-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-07-25 US disclosed
US-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2011-02-03 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-20160060294-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 PPARG 4389/4885PPARA 3538/4885ATM 4640/4885
US-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 PPARG 4389/4885PPARA 3538/4885ATM 4640/4885
US-20130189256-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 PPARG 4389/4885PPARA 3538/4885ATM 4640/4885
US-10159745-B2 Tubulysin derivatives TEKT1, TWF2, TEK PPARG 4878/4885PPARA 4852/4885ATM 3553/4885
US-20150291657-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK PPARG 4878/4885PPARA 4852/4885ATM 3553/4885
US-20140323690-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 PPARG 4389/4885PPARA 3538/4885ATM 4640/4885
US-20160339114-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK PPARG 4878/4885PPARA 4852/4885ATM 3553/4885
US-20130204033-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 PPARG 4389/4885PPARA 3538/4885ATM 4640/4885

“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.