SCHEMBL29687601

SCHEMBL29687601

O=C(NCCCS(=O)(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
EPHX2 P34913 1/20 0.48
CASP3 P42574 3/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
FABP7 O15540 1/20 0.41
FABP5 Q01469 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
SCHEMBL29687609 0.93 KMT2A (0.61) KMT2AEPHX2CASP3CA1CA2
SCHEMBL10490997 0.92 KMT2A (0.60) KMT2AEPHX2CASP3
SCHEMBL793384 0.89 KMT2A (0.85) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29687439 0.89 KMT2A (0.65) KMT2AEPHX2CASP3CA1CA2
SCHEMBL31295532 0.88 KMT2A (0.63) KMT2AEPHX2CASP3CA1CA2
SCHEMBL1660910 0.85 KMT2A (0.74) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL17971325 0.85 KMT2A (0.74) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL24513667 0.85 KMT2A (0.63) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL15809775 0.84 KMT2A (0.73) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL697928 0.84 KMT2A (0.73) KMT2AEPHX2CASP3FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12178842-B2 PCSK9 antagonist compounds MERCK SHARP & DOHME LLC (US) 2024-12-31 US disclosed
US-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-06-01 US disclosed
US-11484565-B2 PCSK9 antagonist compounds MERCK SHARP & DOHME LLC (US) 2022-11-01 US disclosed
EP-4021919-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-07-06 EP 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-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 KMT2A 1433/4885EPHX2 2213/4885CASP3 1938/4885
US-12178842-B2 PCSK9 antagonist compounds PCSK9, PCSK7, PCSK6 KMT2A 1433/4885EPHX2 2213/4885CASP3 1938/4885
US-11484565-B2 PCSK9 antagonist compounds PCSK9, PCSK7, PCSK6 KMT2A 1433/4885EPHX2 2213/4885CASP3 1938/4885

“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.