SCHEMBL17147472

SCHEMBL17147472

Cc1c2c(C(=O)O)cc(-c3ccco3)nc2nn1Cc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.51
▸ SLC2A2 P11168 1/20 0.51
▸ SLC2A3 P11169 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ RECQL P46063 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ BRCA1 P38398 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL17147505 0.94 KDM4E (0.49) ALDH1A1POLBRECQLHSD17B10TDP1
SCHEMBL17147479 0.92 SLC2A1 (0.52) SLC2A1SLC2A2SLC2A3ALDH1A1POLB
SCHEMBL17147463 0.91 ALDH1A1 (0.51) SLC2A1SLC2A2SLC2A3ALDH1A1POLB
SCHEMBL17147478 0.91 SLC2A1 (0.45) SLC2A1SLC2A2SLC2A3ALDH1A1POLB
SCHEMBL17149339 0.89 UBE2I (0.51) ALDH1A1POLBRECQLHSD17B10TDP1
SCHEMBL17147485 0.87 ALDH1A1 (0.55) SLC2A1SLC2A2SLC2A3ALDH1A1POLB
SCHEMBL17147503 0.87 KDM4E (0.48) ALDH1A1POLBRECQLHSD17B10TDP1
SCHEMBL17147451 0.86 ALDH1A1 (0.50) SLC2A1SLC2A2SLC2A3ALDH1A1POLB
SCHEMBL17149312 0.86 DHODH (0.47) SLC2A1SLC2A3MAPT
SCHEMBL17147437 0.86 UBE2I (0.46) SLC2A1SLC2A2SLC2A3ALDH1A1POLB

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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