SCHEMBL601344

SCHEMBL601344

COCCCNCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 2/20 0.48
KDM4E B2RXH2 8/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL27509242 0.98 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ERECQLLMNA
SCHEMBL29358384 0.90 ALDH1A1 (0.53) ALDH1A1TSHRKDM4ELMNAL3MBTL1
SCHEMBL157970 0.86
SCHEMBL7899608 0.83 TSHR (0.48) ALDH1A1TSHRKDM4ERECQLLMNA
SCHEMBL15929955 0.83 TSHR (0.48) ALDH1A1TSHRKDM4ERECQLLMNA
SCHEMBL19668597 0.81 EPHX1 (0.46) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL2733181 0.81 MAOA (0.53) ALDH1A1TSHRKDM4ERECQLLMNA
SCHEMBL28069490 0.81 TSHR (0.47) ALDH1A1TSHRKDM4ERECQLLMNA
SCHEMBL13793742 0.79 TSHR (0.50) ALDH1A1TSHRKDM4ERECQLLMNA
SCHEMBL20535410 0.79 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ERECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
EP-0656349-B1 Amidinophenol derivatives having phospholipase A2 inhibitory activity ONO PHARMACEUTICAL CO (JP) 1998-04-08 EP claimed
US-12281180-B2 Peptoid-peptide macrocycles, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2025-04-22 US disclosed
WO-2025070720-A1 PEPTIDE ペプチドリーム株式会社 2025-04-03 WO disclosed
WO-2025070731-A1 PEPTIDEPEPTIDE ペプチドリーム株式会社 2025-04-03 WO disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC 2024-08-29 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20120040904-A1 Boronate Medicaments for Preventing Thrombosis During Surgery Trigen Holdings AG (GB) 2012-02-16 US disclosed
US-20100113393-A1 Boronic Acid Salts PAION DEUTSCHLAND GMBH (DE) 2010-05-06 US disclosed
US-20100035827-A1 Multivalent metal salts of boronic acids PAION DEUTSCHLAND GMBH (DE) 2010-02-11 US disclosed
EP-0807638-A1 Inhibitors and substrates of thrombin THROMBOSIS RESEARCH INSTITUTE (GB) 1997-11-19 EP disclosed
US-5648338-A PEPTIDE ANTICOAGULANT THROMBOSIS RESEARCH INSTITUTE (GB) 1997-07-15 US disclosed
US-5639739-A USEFUL FOR TREATING THROMBOSIS IN MAMMALS BY INHIBITING TRYPSIN-LIKE SERINE PROTEASE ENZYMES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-17 US disclosed
US-5563127-A USEFUL TO TREAT THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 US disclosed
WO-1996025427-A1 SERINE PROTEASE INHIBITORS ELLERMAN PHARMACEUTICALS LIMITED (GB) 1996-08-22 WO disclosed
WO-1996020689-A2 BORONIC ACID AND ESTER INHIBITORS OF THROMBIN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-11 WO disclosed
WO-1994021650-A1 BORONIC ACID AND ESTER INHIBITORS OF THROMBIN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-29 WO disclosed
EP-0509080-A1 INHIBITORS AND SUBSTRATES OF THROMBIN ELLERMAN PHARMACEUTICALS LIMITED (GB) 1992-10-21 EP disclosed
WO-1992007869-A1 INHIBITORS AND SUBSTRATES OF THROMBIN THROMBOSIS RESEARCH INSTITUTE (GB) 1992-05-14 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 (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-20120040904-A1 Boronate Medicaments for Preventing Thrombosis During Surgery F9, FGB, TFPI ALDH1A1 3387/4885TSHR 282/4885KDM4E 3829/4885
US-20100113393-A1 Boronic Acid Salts GCG, GRPR, BPGM ALDH1A1 4864/4885TSHR 485/4885KDM4E 4277/4885
US-20100035827-A1 Multivalent metal salts of boronic acids BTD, SLC5A6, BPGM ALDH1A1 4767/4885TSHR 3151/4885KDM4E 4677/4885
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY TNF, TNFRSF1A, CD40 ALDH1A1 3774/4885TSHR 708/4885KDM4E 3704/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ALDH1A1 4472/4885TSHR 2791/4885KDM4E 3586/4885
US-12281180-B2 Peptoid-peptide macrocycles, pharmaceutical compositions and methods of using the same WNT1, WNT3, WNT3A ALDH1A1 4878/4885TSHR 3550/4885KDM4E 4720/4885

“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.