SCHEMBL4089087

SCHEMBL4089087

CC(C)C(=O)[C@H](C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4082731 1.00 SLC7A5 (0.32) SLC7A5TP53
SCHEMBL4092739 1.00 SLC7A5 (0.32) SLC7A5TP53
SCHEMBL79569 0.85 TP53 (0.35) SLC7A5TP53
SCHEMBL10308340 0.85 TP53 (0.35) TP53
Hydrogen Peroxide SCHEMBL8161423 0.81 TP53 (0.41) SLC7A5TP53
Methyl Alcohol SCHEMBL8058445 0.81 TP53 (0.33) SLC7A5TP53
Acetone SCHEMBL5322639 0.79 LMNA (0.43) SLC7A5TP53
Formaldehyde SCHEMBL79597 0.79 SLC7A5 (0.32) SLC7A5TP53
Isopropyl Alcohol SCHEMBL1325429 0.79 ALDH1A1 (0.43) SLC7A5TP53
SCHEMBL11337912 0.78 TP53 (0.33) TP53

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-9580467-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof E. R. SQUIBB & SONS, L.L.C. (US) 2017-02-28 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-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-20130197259-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-08-01 US disclosed
US-20130189256-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-07-25 US disclosed
US-8394922-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, INC. (US) 2013-03-12 US disclosed
US-20120115951-A1 PROTECTIVE ACTION OF SEROFENDIC ACID ON CARDIAC MUSCLE Eisai R & D Managment Co., Ltd (JP) 2012-05-10 US disclosed
US-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2011-02-03 US disclosed
US-7211589-B2 Atisane compounds and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-01 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 (7 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 SLC7A5 1658/4885TP53 25/4885
US-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 SLC7A5 1658/4885TP53 25/4885
US-20130189256-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 SLC7A5 1658/4885TP53 25/4885
US-20140323690-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 SLC7A5 1658/4885TP53 25/4885
US-20120115951-A1 PROTECTIVE ACTION OF SEROFENDIC ACID ON CARDIAC MUSCLE TNNC1, TNNT2, TNNI3 SLC7A5 2010/4885TP53 4716/4885
US-20130197259-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 SLC7A5 1658/4885TP53 25/4885
US-20130204033-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 SLC7A5 1658/4885TP53 25/4885

“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.