SCHEMBL2526545

SCHEMBL2526545

COc1ccc2c(c1)NC(=O)C2CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 1/20 0.52
CDYL Q9Y232 1/20 0.52
ATM Q13315 1/20 0.50
TP53 P04637 2/20 0.44
MAPT P10636 3/20 0.43
PPARD Q03181 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
EGFR P00533 1/20 0.40
HTR7 P34969 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL14484996 0.89 CDYL2 (0.58) CDYL2CDYLATMTP53MAPT
SCHEMBL28567244 0.88 CDYL2 (0.51) CDYL2CDYLATMTP53MAPT
SCHEMBL7383444 0.88 CDYL2 (0.54) CDYL2CDYLATMTP53MAPT
SCHEMBL14485127 0.81 TNKS (0.46) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL2878152 0.80 EGFR (0.44) CDYL2CDYLTP53MAPTKMT2A
SCHEMBL8140009 0.78 EGFR (0.43) CDYL2CDYLMAPTKMT2AMEN1
SCHEMBL9376612 0.78 PGR (0.43) CDYL2CDYLTP53MAPTGAA
SCHEMBL1129626 0.77 HTR7 (0.49) CDYL2CDYLTP53MAPTGAA
SCHEMBL7382582 0.77 CDYL2 (0.57) CDYL2CDYLTP53MAPTKMT2A
SCHEMBL7385586 0.77 CDYL2 (0.60) CDYL2CDYLTP53MAPTKMT2A

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-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
EP-2079467-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2015-11-18 EP disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
US-8039484-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2011-10-18 US disclosed
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-04-29 US disclosed
EP-2079467-A2 ANTIDIABETIC BICYCLIC COMPOUNDS Merck & Co., Inc. (US) 2009-07-22 EP disclosed
WO-2008054675-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-08 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 (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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CDYL2 4495/4885CDYL 4620/4885ATM 4697/4885
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, FFAR2, GPR65 CDYL2 778/4885CDYL 928/4885ATM 4565/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CDYL2 4495/4885CDYL 4620/4885ATM 4697/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CDYL2 4495/4885CDYL 4620/4885ATM 4697/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CDYL2 4495/4885CDYL 4620/4885ATM 4697/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CDYL2 4495/4885CDYL 4620/4885ATM 4697/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CDYL2 4495/4885CDYL 4620/4885ATM 4697/4885

“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.