SCHEMBL120580

SCHEMBL120580

O=C(O)CC(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.63
KMT2A Q03164 2/20 0.56
EPHX2 P34913 1/20 0.51
MDM4 O15151 2/20 0.51
TP53 P04637 2/20 0.51
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47

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
SCHEMBL31470993 1.00 CASP3 (0.63) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL30604630 1.00 CASP3 (0.63) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL14265313 0.94 CASP3 (0.57) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL12627627 0.94 CASP3 (0.57) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL799712 0.94 CASP3 (0.57) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL2950163 0.93 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL15569571 0.93 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL7163906 0.93 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL28777598 0.92 CASP3 (0.58) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL28777600 0.92 CASP3 (0.58) CASP3KMT2AEPHX2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023179723-A1 CLEAVABLE FRAGMENT DIRECTED BY AFFINITY FRAGMENT, DESIGN AND SYNTHESIS THEREOF, AND USE THEREOF IN PREPARATION OF SITE-DIRECTED DRUG CONJUGATE 中国科学院上海药物研究所 2023-09-28 WO disclosed
US-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS MC SAF (FR) 2023-09-07 US disclosed
EP-4181964-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS Mc SAF (FR) 2023-05-24 EP disclosed
EP-3099692-B9 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER (US) 2019-11-13 EP disclosed
EP-3099692-B9 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER (US) 2019-11-13 EP disclosed
US-10391182-B2 Bifunctional cytotoxic agents PFIZER INC. (US) 2019-08-27 US disclosed
US-10391182-B2 Bifunctional cytotoxic agents PFIZER INC. (US) 2019-08-27 US disclosed
EP-3521292-A1 BIFUNCTIONAL CYTOTOXIC AGENTS Pfizer Inc (US) 2019-08-07 EP disclosed
EP-3521292-A1 BIFUNCTIONAL CYTOTOXIC AGENTS Pfizer Inc (US) 2019-08-07 EP disclosed
EP-3099692-B1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER (US) 2019-03-13 EP disclosed
US-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. 2015-07-30 US disclosed
US-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. 2015-07-30 US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20040086949-A1 Method for preparing a ligand presenting assembly (LPA), an LPA and uses thereof STATENS SERUM INSTITUT 2004-05-06 US disclosed
EP-1117677-B1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF STATENS SERUMINSTITUT (DK) 2003-11-12 EP disclosed
EP-1117677-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF Statens Serum Institut (DK) 2001-07-25 EP disclosed
WO-2000018791-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF STATENS SERUM INSTITUT (DK) 2000-04-06 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 (3 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-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS SHBG, SERPINA6, F13B CASP3 4329/4885KMT2A 4179/4885EPHX2 2309/4885
US-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PAICS, CYTH3, CYTH2 CASP3 195/4885KMT2A 2521/4885EPHX2 701/4885
US-10391182-B2 Bifunctional cytotoxic agents PAICS, CYTH3, CYTH2 CASP3 195/4885KMT2A 2521/4885EPHX2 701/4885

“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.