SCHEMBL17229213

SCHEMBL17229213

O=C1/C(=C\C=C\c2ccco2)SC(=S)N1NCc1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.67
▸ MEN1 O00255 14/20 0.67
▸ KMT2A Q03164 14/20 0.67
▸ POLB P06746 12/20 0.67
▸ KDM4E B2RXH2 11/20 0.67
▸ L3MBTL1 Q9Y468 11/20 0.67
▸ RECQL P46063 10/20 0.67
▸ BLM P54132 7/20 0.67
▸ TDP1 Q9NUW8 7/20 0.67
▸ THRB P10828 6/20 0.67
▸ MCL1 Q07820 5/20 0.67
▸ ALPL P05186 4/20 0.67
▸ ALPI P09923 2/20 0.67
▸ ALPG P10696 2/20 0.67
▸ PKM P14618 1/20 0.67
▸ USP2 O75604 9/20 0.60
▸ APEX1 P27695 6/20 0.60
▸ ATG4B Q9Y4P1 2/20 0.60
▸ PLA2G1B P04054 1/20 0.60
▸ GLA P06280 1/20 0.60

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 0.80 MEN1 (1.00) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL14680208 0.75 MAPT (1.00) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL29354790 0.75 MAPT (1.00) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL26485785 0.73 MAPT (0.65) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL17229211 0.72 KMT2A (0.82) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL5991599 0.72 MEN1 (0.75) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL8592041 0.70 MAPT (0.66) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL6886015 0.70 MAPT (0.88) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL26458902 0.69 MAPT (1.00) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL14680220 0.69 MAPT (1.00) MAPTMEN1KMT2APOLBKDM4E

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-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-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-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 (2 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-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 MAPT 3689/4885MEN1 3272/4885KMT2A 2775/4885
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 MAPT 3689/4885MEN1 3272/4885KMT2A 2775/4885

“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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