SCHEMBL3450327

SCHEMBL3450327

NC(COC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A5 Q15758 1/20 0.81
▸ ALDH1A1 P00352 2/20 0.65
▸ IDO1 P14902 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ADRB2 P07550 2/20 0.51
▸ ADRB1 P08588 2/20 0.51
▸ ADRB3 P13945 2/20 0.51
▸ LMNA P02545 2/20 0.50
▸ SLC7A5 Q01650 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TSHR P16473 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ALPI P09923 1/20 0.48

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
SCHEMBL3450330 1.00 SLC1A5 (0.81) SLC1A5ALDH1A1IDO1TDP1MAPK1
SCHEMBL24354992 0.93 SLC1A5 (0.77) SLC1A5ALDH1A1IDO1TDP1MAPK1
SCHEMBL20243012 0.90 SLC1A5 (1.00) SLC1A5ALDH1A1IDO1TDP1LMNA
SCHEMBL20243013 0.90 SLC1A5 (1.00) SLC1A5ALDH1A1IDO1TDP1LMNA
SCHEMBL24354986 0.86 SLC1A5 (0.71) SLC1A5ALDH1A1IDO1TDP1KMT2A
SCHEMBL7787829 0.86 SLC1A5 (0.71) SLC1A5ALDH1A1IDO1SLC6A3ADRB2
SCHEMBL24354991 0.85 SLC1A5 (0.66) SLC1A5ALDH1A1KMT2ALMNAKDM4E
SCHEMBL10652503 0.83 SLC1A5 (0.59) SLC1A5ALDH1A1TDP1MAPK1HIF1A
SCHEMBL31374444 0.82 TDP1 (0.59) SLC1A5ALDH1A1TDP1MAPK1HIF1A
SCHEMBL17857748 0.81 ALDH1A1 (0.65) SLC1A5ALDH1A1TDP1MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785768-B1 O-ACYL SERINES AS DEODORANTS GILLETTE CO (US) 2001-11-28 — — EP claimed
US-20230024978-A1 TASTE MODIFYING INGREDIENTS GIVAUDAN SA (CH) 2023-01-26 — — US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 — — US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 — — US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 — — EP disclosed
US-20020168337-A1 Sustained-release preparation TAKADA CHEMICAL INDUSTRIES LTD. 2002-11-14 — — US disclosed
US-20020058622-A1 Sustained-release preparation IGARI YASUTAKA (JP) 2002-05-16 — — US disclosed
US-6376461-B1 WATER INSOLUBLE OR SLIGHTLY WATER SOLUBLE POLYVALENT METAL SALT OF A GROWTH HORMONE, AND A BIODEGRADABLE POLYMER; ENDOTHELIN ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 — — US disclosed
US-6251861-B1 CYCLO(D-ASP-ASP(R1)-ASP-D-THG(2)-LEU-TRP) DISODIUM SALT, WHERE ASP(R1) IS AN ASPARTIC ACID BETA-4-PHENYLPIPERAZINE AMIDE RESIDUE AND THG(2) IS 2-(2-THIENYL)GLYCINE; ANTI-ENDOTHELIN ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 — — US disclosed
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 — — US disclosed
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 — — EP disclosed
US-5883075-A HYPOTENSIVE AGENT CYCLIC PEPTIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 — — US disclosed
EP-0815870-A2 Composition for prohylaxis or treatment of cerebral infarction Takeda Chemical Industries, Ltd. (JP) 1998-01-07 — — EP disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 — — EP disclosed
US-5616684-A CYCLIC HEXAPEPTIDE CONTAINING ASPARTIC ACID AND DERIVATIVES, 2-THIENYLGLYCINE, LEUCINE, AND TRYPTOPHAN; ENDOTHELIN RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-01 — — US disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 — — EP disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 — — EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 — — EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 — — EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 — — 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-20020168337-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 SLC1A5 219/4885ALDH1A1 2741/4885IDO1 1254/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 SLC1A5 219/4885ALDH1A1 2741/4885IDO1 1254/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 SLC1A5 881/4885ALDH1A1 3712/4885IDO1 1126/4885

“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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