SCHEMBL17147474

SCHEMBL17147474

COC(=O)c1cc(-c2ccco2)nc2nn(Cc3ccc(Oc4cc(C)c(C)c(C)c4)cc3)c(C)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.45
▸ SLC2A2 P11168 1/20 0.45
▸ SLC2A3 P11169 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ USP2 O75604 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ UBE2I P63279 3/20 0.41
▸ CACNA1B Q00975 3/20 0.41
▸ APBA1 Q02410 3/20 0.41
▸ SAE1 Q9UBE0 3/20 0.41
▸ UBA2 Q9UBT2 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ POLB P06746 3/20 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
SCHEMBL17147458 0.94 ALDH1A1 (0.50) SLC2A1SLC2A2SLC2A3ALDH1A1USP2
SCHEMBL17147437 0.93 UBE2I (0.46) SLC2A1SLC2A2SLC2A3ALDH1A1USP2
SCHEMBL17147478 0.92 SLC2A1 (0.45) SLC2A1SLC2A2SLC2A3ALDH1A1HPGD
SCHEMBL17147479 0.92 SLC2A1 (0.52) SLC2A1SLC2A2SLC2A3ALDH1A1USP2
SCHEMBL17149352 0.91 UBE2I (0.50) SLC2A1SLC2A2SLC2A3ALDH1A1USP2
SCHEMBL17147511 0.90 SLC2A1 (0.46) SLC2A1SLC2A2SLC2A3ALDH1A1USP2
SCHEMBL17147442 0.88 SLC2A1 (0.46) SLC2A1SLC2A2SLC2A3ALDH1A1USP2
SCHEMBL17147455 0.88 ALDH1A1 (0.49) SLC2A1SLC2A2SLC2A3ALDH1A1USP2
SCHEMBL17147435 0.87 ALDH1A1 (0.44) ALDH1A1USP2HPGDKDM4EMAPT
SCHEMBL17147414 0.87 ALDH1A1 (0.53) ALDH1A1USP2HPGDKDM4EMAPT

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
EP-3125884-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2019-11-06 — — EP disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 — — US disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 — — US disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 — — US disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 — — 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 (1 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-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 SLC2A1 4576/4885SLC2A2 4698/4885SLC2A3 4682/4885

“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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