SCHEMBL17229211

SCHEMBL17229211

O=C(NN1C(=O)S/C(=C/C=C/c2ccco2)C1=O)c1ccccc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 14/20 0.82
▸ MAPT P10636 14/20 0.82
▸ MEN1 O00255 13/20 0.82
▸ RECQL P46063 10/20 0.82
▸ POLB P06746 10/20 0.82
▸ L3MBTL1 Q9Y468 10/20 0.82
▸ KDM4E B2RXH2 9/20 0.82
▸ BLM P54132 7/20 0.82
▸ MCL1 Q07820 5/20 0.82
▸ TDP1 Q9NUW8 5/20 0.82
▸ THRB P10828 5/20 0.82
▸ ALPL P05186 4/20 0.82
▸ ALPI P09923 2/20 0.82
▸ ALPG P10696 2/20 0.82
▸ PKM P14618 1/20 0.82
▸ USP2 O75604 9/20 0.56
▸ APEX1 P27695 6/20 0.56
▸ SAE1 Q9UBE0 3/20 0.56
▸ UBA2 Q9UBT2 3/20 0.56
▸ ATG4B Q9Y4P1 2/20 0.56

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
SCHEMBL14680241 0.90 MEN1 (1.00) KMT2AMAPTMEN1RECQLPOLB
SCHEMBL19419943 0.74 MAPT (0.62) KMT2AMAPTMEN1RECQLPOLB
SCHEMBL17229213 0.72 MAPT (0.67) KMT2AMAPTMEN1RECQLPOLB
SCHEMBL20272169 0.71 MEN1 (0.45) KMT2AMAPTMEN1RECQLPOLB
SCHEMBL26459002 0.71 MAPT (1.00) KMT2AMAPTMEN1RECQLPOLB
SCHEMBL20705619 0.71 MEN1 (0.45) KMT2AMAPTMEN1RECQLPOLB
SCHEMBL8172936 0.70 MAPT (0.64) KMT2AMAPTMEN1RECQLPOLB
SCHEMBL17833967 0.69 MAPT (0.67) KMT2AMAPTMEN1RECQLPOLB
SCHEMBL17834314 0.69 MEN1 (0.63) KMT2AMAPTMEN1RECQLPOLB
SCHEMBL29354790 0.68 MAPT (1.00) KMT2AMAPTMEN1RECQLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 — — US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 — — US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 — — US 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 KMT2A 3471/4885MAPT 1762/4885MEN1 3416/4885
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 KMT2A 2775/4885MAPT 3689/4885MEN1 3272/4885
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 KMT2A 2775/4885MAPT 3689/4885MEN1 3272/4885

“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.

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