SCHEMBL895414

SCHEMBL895414

CC(C)(C)OC(=O)c1cccc(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 1/20 0.56
▸ SLC7A5 Q01650 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ TRIM24 O15164 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ P4HB P07237 2/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40

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
SCHEMBL31487534 0.85 SLC7A5 (0.48) UNGSLC7A5ALDH1A1STAT3P4HB
SCHEMBL15496946 0.85 SLC7A5 (0.48) UNGSLC7A5ALDH1A1STAT3P4HB
SCHEMBL110296 0.84 SLC7A5 (0.58) SLC7A5ALDH1A1STAT3GABRA1GABRG2
SCHEMBL2514444 0.83 UNG (0.56) UNGSLC7A5ALDH1A1POLBTRIM24
SCHEMBL30390191 0.83 KMT2A (0.50) SLC7A5STAT3P4HBGRIN2DGRIN3B
SCHEMBL28350987 0.82 SLC7A5 (0.56) SLC7A5ALDH1A1STAT3GABRA1GABRG2
Water SCHEMBL28897664 0.82 SLC7A5 (0.56) SLC7A5ALDH1A1STAT3GABRA1GABRG2
Hydrogen Peroxide SCHEMBL27146001 0.82 SLC7A5 (0.60) SLC7A5ALDH1A1STAT3GABRA1GABRG2
SCHEMBL18137490 0.82 UNG (0.50) UNGSLC7A5ALDH1A1POLBTRIM24
SCHEMBL6925025 0.81 KDM4E (0.50) SLC7A5ALDH1A1P4HBHSD17B10HPGD

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11465965-B2 Double-headed protease inhibitor UBE INDUSTRIES, LTD. (JP) 2022-10-11 — — US disclosed
CN-113461602-B Aniline compounds with HDAC (Histone deacetylase) inhibitory activity, preparation method, composition and application 北京华氏信华科生物科技有限公司 2022-06-28 — — CN disclosed
CN-113461602-A Aniline compounds with HDAC (HDAC) inhibitory activity, preparation method, composition and application 北京华氏信华科生物科技有限公司 2021-10-01 — — CN disclosed
CN-107531693-B 5 or 8-substituted imidazo [1, 5-a ] pyridines as indoleamine, tryptophan dioxygenase inhibitors 百济神州有限公司 2021-07-06 — — CN disclosed
EP-3280715-B1 NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE LTD (KY) 2020-11-25 — — EP disclosed
US-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE INDUSTRIES, LTD. (JP) 2020-11-05 — — US disclosed
EP-3705471-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE Industries, Ltd. (JP) 2020-09-09 — — EP disclosed
CN-111542511-A Double-headed inhibitors of proteolytic enzymes 宇部兴产株式会社 2020-08-14 — — CN disclosed
US-10647714-B2 5 or 8-substituted imidazo[1,5-a]pyridines as indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2020-05-12 — — US disclosed
US-10647714-B2 5 or 8-substituted imidazo[1,5-a]pyridines as indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2020-05-12 — — US disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 — — EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 — — US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 — — EP disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 — — EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 — — EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 — — US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 — — US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 — — EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 — — EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 — — EP 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-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR TMPRSS15, SPINT2, PRSS2 UNG 1692/4885SLC7A5 690/4885ALDH1A1 1685/4885
US-10647714-B2 5 or 8-substituted imidazo[1,5-a]pyridines as indoleamine and/or tryptophane 2,3-dioxygenases IDO1, TPH1, IDO2 UNG 826/4885SLC7A5 1915/4885ALDH1A1 466/4885
US-11465965-B2 Double-headed protease inhibitor TMPRSS15, SPINT2, PRSS2 UNG 1692/4885SLC7A5 690/4885ALDH1A1 1685/4885

“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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