SCHEMBL4188538

SCHEMBL4188538

CC(C)c1ccc(Cn2cc(C(=O)O)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.61
▸ EGLN1 Q9GZT9 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ KLKB1 P03952 3/20 0.46
▸ KLK1 P06870 1/20 0.46
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ ACACB O00763 1/20 0.45
▸ CACNA1G O43497 1/20 0.44
▸ CACNA1H O95180 1/20 0.44
▸ CACNA1I Q9P0X4 1/20 0.44
▸ ESRRG P62508 1/20 0.44
▸ SCD O00767 1/20 0.44
▸ SCD5 Q86SK9 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL17693909 0.87 ALDH1A1 (0.49) HSD17B10EGLN1ALDH1A1KDM4EKLKB1
SCHEMBL19077863 0.87 HSD17B10 (0.67) HSD17B10EGLN1L3MBTL1POLBTDP1
SCHEMBL4019778 0.85 HSD17B10 (0.72) HSD17B10EGLN1L3MBTL1POLBTDP1
SCHEMBL1912400 0.85 HSD17B10 (0.77) HSD17B10L3MBTL1POLBTDP1ALDH1A1
SCHEMBL948453 0.84 HSD17B10 (0.61) HSD17B10L3MBTL1POLBTDP1ALDH1A1
SCHEMBL19299982 0.83 HSD17B10 (0.65) HSD17B10EGLN1L3MBTL1POLBTDP1
SCHEMBL16246805 0.82 KLKB1 (0.62) HSD17B10L3MBTL1POLBTDP1ALDH1A1
SCHEMBL553971 0.82 HSD17B10 (0.63) HSD17B10EGLN1L3MBTL1POLBTDP1
SCHEMBL18816489 0.82 HSD17B10 (0.63) HSD17B10EGLN1L3MBTL1POLBTDP1
SCHEMBL553830 0.82 L3MBTL1 (0.62) HSD17B10L3MBTL1POLBTDP1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 — — US disclosed
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD. (GB) 2020-06-30 — — US disclosed
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2018-08-30 — — US disclosed
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2017-10-19 — — US disclosed
US-9604975-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2017-03-28 — — US disclosed
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD (GB) 2015-04-09 — — US disclosed
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 — — US disclosed
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 — — EP disclosed
WO-2009093012-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2009-07-30 — — WO 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-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 HSD17B10 1060/4885EGLN1 1873/4885L3MBTL1 806/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B HSD17B10 3403/4885EGLN1 3279/4885L3MBTL1 1632/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 HSD17B10 1060/4885EGLN1 1873/4885L3MBTL1 806/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B HSD17B10 3403/4885EGLN1 3279/4885L3MBTL1 1632/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B HSD17B10 3403/4885EGLN1 3279/4885L3MBTL1 1632/4885

“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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