SCHEMBL535707

SCHEMBL535707

COP(=O)(OC)C(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.57
ELANE P08246 2/20 0.56
ATM Q13315 2/20 0.51
KLK1 P06870 1/20 0.51
CTRB1 P17538 2/20 0.50
PRTN3 P24158 1/20 0.50
ACE2 Q9BYF1 1/20 0.49
TP53 P04637 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48

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
SCHEMBL13435790 1.00 KYNU (0.57) KYNUELANEATMKLK1CTRB1
SCHEMBL1110994 0.99 KYNU (0.56) KYNUELANEATMKLK1CTRB1
SCHEMBL269404 0.93 KYNU (0.62) KYNUELANEATMKLK1CTRB1
SCHEMBL187849 0.93 KYNU (0.62) KYNUELANEATMKLK1CTRB1
SCHEMBL29678939 0.93 KYNU (0.62) KYNUELANEATMKLK1CTRB1
SCHEMBL19410220 0.92 KYNU (0.57) KYNUELANEATMKLK1CTRB1
SCHEMBL13798138 0.90 KYNU (0.56) KYNUELANEATMKLK1CTRB1
Lithium Ion SCHEMBL1110992 0.89 KYNU (0.55) KYNUELANEATMKLK1CTRB1
SCHEMBL15549899 0.86 ELANE (0.54) KYNUELANEATMKLK1CTRB1
SCHEMBL13798136 0.86 KYNU (0.52) KYNUELANEATMKLK1CTRB1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440097-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2024-10-23 EP disclosed
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2023-03-09 US disclosed
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 EP disclosed
EP-3908585-A1 IMIDAZO[1,2-B]PYRIDAZINE IL-17A INHIBITORS ELI LILLY AND COMPANY (US) 2021-11-17 EP disclosed
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 US disclosed
US-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH WILLIAM MARSH RICE UNIVERSITY (US) 2021-06-24 US disclosed
WO-2021013978-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2021-01-28 WO disclosed
EP-3681875-A1 CYCLIC PEPTIDE ANTIBIOTICS H. Hoffnabb-La Roche Ag (CH) 2020-07-22 EP disclosed
WO-2020146194-A1 IMIDAZO[1,2-B]PYRIDAZINE IL-17A INHIBITORS ELI LILLY AND COMPANY (US) 2020-07-16 WO disclosed
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-04 US disclosed
US-20060264358-A1 Acylated nonadepsipeptides II BAYER HEALTHCARE AG (DE) 2006-11-23 US disclosed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed
EP-1625153-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
US-6911543-B2 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PFIZER INC. (US) 2005-06-28 US disclosed
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 US disclosed
WO-2004099239-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES BAYER HEALTHCARE AG (DE) 2004-11-18 WO disclosed
EP-1425286-A1 SUBSTITUTED 7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2004-06-09 EP disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 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-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 KYNU 1058/4885ELANE 3219/4885ATM 4066/4885
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP KYNU 1318/4885ELANE 770/4885ATM 4030/4885
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER KLK3, AR, SHBG KYNU 1333/4885ELANE 1675/4885ATM 2227/4885
US-20060264358-A1 Acylated nonadepsipeptides II VIP, LYPLA2, ENPP2 KYNU 3190/4885ELANE 837/4885ATM 4588/4885
US-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH TEK, CD2BP2, SDCBP KYNU 3591/4885ELANE 1264/4885ATM 3665/4885
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 CD274, PDCD1, PDCD1LG2 KYNU 965/4885ELANE 1968/4885ATM 1075/4885
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 CD274, PDCD1, PDCD1LG2 KYNU 1166/4885ELANE 2662/4885ATM 997/4885

“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.