SCHEMBL5711264

SCHEMBL5711264

O=C(O)CCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.67
HTT P42858 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.59
SIRT1 Q96EB6 1/20 0.59
SIRT5 Q9NXA8 1/20 0.57
MME P08473 1/20 0.55
ECE1 P42892 1/20 0.55
CTSL P07711 2/20 0.55
CTSS P25774 1/20 0.55
CASP1 P29466 2/20 0.54
ITGB3 P05106 1/20 0.53
ITGAV P06756 1/20 0.53

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
SCHEMBL6278137 1.00 FOLH1 (0.67) FOLH1HTTSIRT2SIRT1SIRT5
SCHEMBL5711173 1.00 FOLH1 (0.67) FOLH1HTTSIRT2SIRT1SIRT5
SCHEMBL5711292 0.96 FOLH1 (0.69) FOLH1HTTSIRT2SIRT1SIRT5
SCHEMBL9828826 0.96 FOLH1 (0.69) FOLH1HTTSIRT2SIRT1SIRT5
SCHEMBL5323583 0.95 FOLH1 (0.67) FOLH1HTTSIRT2SIRT1SIRT5
SCHEMBL4409153 0.95 FOLH1 (0.67) FOLH1HTTSIRT2SIRT1SIRT5
SCHEMBL910232 0.92 FOLH1 (0.70) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL910423 0.92 FOLH1 (0.70) FOLH1SIRT2SIRT1MMEECE1
Benzene SCHEMBL28226069 0.92 FOLH1 (0.70) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL910233 0.92 FOLH1 (0.70) FOLH1SIRT2SIRT1MMEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
CN-115925790-A Methods for synthesizing alpha 4 beta 7 peptide antagonists 领导医疗有限公司 2023-04-07 CN disclosed
US-20220185846-A1 METHODS FOR SYNTHESIZING BETA-HOMOAMINO ACIDS PROTAGONIST THERAPEUTICS, INC. 2022-06-16 US disclosed
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed
US-5789417-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1998-08-04 US disclosed
EP-0667864-B1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LTD (GB) 1997-09-24 EP disclosed
EP-0667864-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY. ZENECA LTD (GB) 1995-08-23 EP disclosed
WO-1994011354-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LIMITED (GB) 1994-05-26 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS FOLH1 3914/4885HTT 3175/4885SIRT2 4056/4885
US-20220185846-A1 METHODS FOR SYNTHESIZING BETA-HOMOAMINO ACIDS PSMA7, ITGB7, SCN7A FOLH1 377/4885HTT 2031/4885SIRT2 4396/4885

“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.