SCHEMBL17834314

SCHEMBL17834314

COC(=O)C(C)N1C(=O)S/C(=C\C=C\c2ccco2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.63
▸ KMT2A Q03164 10/20 0.63
▸ POLB P06746 10/20 0.63
▸ MAPT P10636 10/20 0.63
▸ L3MBTL1 Q9Y468 9/20 0.63
▸ USP2 O75604 8/20 0.63
▸ KDM4E B2RXH2 8/20 0.63
▸ RECQL P46063 8/20 0.63
▸ BLM P54132 6/20 0.63
▸ THRB P10828 5/20 0.63
▸ APEX1 P27695 5/20 0.63
▸ TDP1 Q9NUW8 4/20 0.63
▸ NSD2 O96028 3/20 0.63
▸ HPGD P15428 2/20 0.63
▸ PTPN22 Q9Y2R2 2/20 0.63
▸ APOBEC3A P31941 2/20 0.63
▸ APOBEC3G Q9HC16 2/20 0.63
▸ PTK2B Q14289 1/20 0.63
▸ ALDH1A1 P00352 7/20 0.58
▸ ALOX12 P18054 2/20 0.58

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
SCHEMBL17833967 0.88 MAPT (0.67) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL14680229 0.74 MAPT (1.00) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL8172936 0.72 MAPT (0.64) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL19419942 0.71 MAPT (0.83) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL26459002 0.70 MAPT (1.00) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL17229211 0.69 KMT2A (0.82) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL26485785 0.69 MAPT (0.65) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL26458902 0.67 MAPT (1.00) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL14680220 0.67 MAPT (1.00) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL15678589 0.67 MEN1 (0.66) MEN1KMT2APOLBMAPTL3MBTL1

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-20200048276-A9 MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-02-13 — — US disclosed
US-10017520-B2 Myc modulators and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-07-10 — — US disclosed
WO-2016094688-A1 FUSED 1,3-AZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-06-16 — — WO disclosed
US-20160168165-A1 MYC MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 — — 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-20160168165-A1 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 MEN1 336/4885KMT2A 1253/4885POLB 2076/4885
US-20200048276-A9 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 MEN1 336/4885KMT2A 1253/4885POLB 2076/4885
US-10017520-B2 Myc modulators and uses thereof MYC, MYCBP, MYCBP2 MEN1 336/4885KMT2A 1253/4885POLB 2076/4885

“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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