SCHEMBL8617606

SCHEMBL8617606

CN(C(=O)OCc1ccccc1)C(CO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.51
ALDH1A1 P00352 5/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
FOLH1 Q04609 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42

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
SCHEMBL21874257 1.00 ABCB1 (0.51) ABCB1ALDH1A1ITGB3ITGA2BCTSL
SCHEMBL6370553 1.00 ABCB1 (0.51) ABCB1ALDH1A1ITGB3ITGA2BCTSL
SCHEMBL8615966 0.88 ABCB1 (0.55) ABCB1ALDH1A1ITGB3ITGA2BCTSL
SCHEMBL22165390 0.88 ABCB1 (0.55) ABCB1ALDH1A1ITGB3ITGA2BCTSL
SCHEMBL22165392 0.88 ABCB1 (0.55) ABCB1ALDH1A1ITGB3ITGA2BCTSL
SCHEMBL8067076 0.88 ITGB3 (0.59) ABCB1ALDH1A1ITGB3ITGA2BCTSL
SCHEMBL2494968 0.88 ITGB3 (0.59) ABCB1ALDH1A1ITGB3ITGA2BCTSL
SCHEMBL31739224 0.88 ITGB3 (0.59) ABCB1ALDH1A1ITGB3ITGA2BCTSL
SCHEMBL30278712 0.88 ABCB1 (0.51) ABCB1ALDH1A1ITGB3ITGA2BCTSL
SCHEMBL2968658 0.88 ITGB3 (0.59) ABCB1ALDH1A1ITGB3ITGA2BCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
EP-4043478-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITING ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-08-17 EP disclosed
US-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
US-9828384-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-11-28 US disclosed
US-20150368252-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2015-12-24 US disclosed
US-5767254-A INCORPORATING IMINO-BOUND MOIETY THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 1998-06-16 US disclosed
US-5470949-A Method for making amino acid glycosides and glycopeptides THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 1995-11-28 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 (6 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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 ABCB1 2446/4885ALDH1A1 1619/4885ITGB3 3622/4885
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ABCB1 3341/4885ALDH1A1 4838/4885ITGB3 4849/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ABCB1 3341/4885ALDH1A1 4838/4885ITGB3 4849/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 ABCB1 2446/4885ALDH1A1 1619/4885ITGB3 3622/4885
US-20150368252-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2B ABCB1 2049/4885ALDH1A1 2911/4885ITGB3 3846/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS ABCB1 3341/4885ALDH1A1 4838/4885ITGB3 4849/4885

“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.