SCHEMBL14680229

SCHEMBL14680229

CC(C)C(C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 1.00
▸ MEN1 O00255 13/20 1.00
▸ KMT2A Q03164 13/20 1.00
▸ POLB P06746 11/20 1.00
▸ USP2 O75604 9/20 1.00
▸ L3MBTL1 Q9Y468 9/20 1.00
▸ KDM4E B2RXH2 9/20 1.00
▸ RECQL P46063 9/20 1.00
▸ BLM P54132 7/20 1.00
▸ APEX1 P27695 6/20 1.00
▸ THRB P10828 5/20 1.00
▸ TDP1 Q9NUW8 5/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ HPGD P15428 2/20 1.00
▸ PTPN22 Q9Y2R2 2/20 1.00
▸ ALOX12 P18054 2/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ TNNI3 P19429 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00

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
SCHEMBL19419942 0.91 MAPT (0.83) MAPTMEN1KMT2APOLBUSP2
SCHEMBL4143167 0.84 MAPT (0.72) MAPTMEN1KMT2APOLBUSP2
SCHEMBL13852445 0.84 MAPT (0.72) MAPTMEN1KMT2APOLBUSP2
SCHEMBL26458902 0.81 MAPT (1.00) MAPTMEN1KMT2APOLBUSP2
SCHEMBL14680220 0.81 MAPT (1.00) MAPTMEN1KMT2APOLBUSP2
SCHEMBL26485785 0.77 MAPT (0.65) MAPTMEN1KMT2APOLBUSP2
SCHEMBL17833967 0.76 MAPT (0.67) MAPTMEN1KMT2APOLBUSP2
SCHEMBL18598496 0.76 MAPT (0.83) MAPTMEN1KMT2APOLBUSP2
SCHEMBL5970105 0.75 BCL2 (0.80) MAPTMEN1KMT2APOLBUSP2
SCHEMBL5970104 0.75 BCL2 (0.80) MAPTMEN1KMT2APOLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 — — 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-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
US-20130035304-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-DIRECTOR DEITR 2013-02-07 — — 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 (5 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 MAPT 1762/4885MEN1 3416/4885KMT2A 3471/4885
US-20130035304-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
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
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA MAPT 1460/4885MEN1 2434/4885KMT2A 2501/4885

“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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