SCHEMBL12987208

SCHEMBL12987208

NC(Cc1ccc(OC(=O)OCCl)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 4/20 0.53
▸ PTPN1 P18031 2/20 0.52
▸ PTGS1 P23219 3/20 0.51
▸ ALPI P09923 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ XIAP P98170 1/20 0.51
▸ ITGB3 P05106 1/20 0.51
▸ ITGA2B P08514 1/20 0.51
▸ HIF1A Q16665 5/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ ALOX15 P16050 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ ACHE P22303 1/20 0.50

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
SCHEMBL12987202 1.00 SLC7A5 (0.53) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL4410810 0.83 SLC7A5 (0.66) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL7024349 0.83 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL11227875 0.83 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL451772 0.81 SLC7A5 (0.62) SLC7A5PTPN1PTGS1ALPIPKM
Iodide SCHEMBL28632896 0.81 PTPN1 (0.48) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL29641575 0.80 ITGB3 (0.49) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL22645606 0.80 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL671002 0.80 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL1639831 0.80 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 — — EP claimed
US-9907796-B2 Methods of treating tumoral diseases, or bacterial or viral infections INHIBIKASE THERAPEUTICS, INC. (US) 2018-03-06 — — US claimed
US-20170000789-A1 Methods of Treating Tumoral Diseases, or Bacterial or Viral Infections SPHAERA PHARMA PTE. LTD. (SG) 2017-01-05 — — US claimed
US-9487500-B2 Compounds and compositions thereof INHIBIKASE THERAPEUTICS, INC. (US) 2016-11-08 — — US claimed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 — — US claimed
EP-2903979-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES Inhibikase Therapeutics, Inc. (US) 2015-08-12 — — EP claimed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 — — US claimed
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 — — US claimed
WO-2014055938-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 — — WO claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 — — EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 — — WO claimed
US-12629371-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2026-05-19 — — US disclosed
CN-109608436-B Substituted methyl formyl reagents and methods of using same to improve physicochemical and/or pharmacokinetic properties of compounds 斯法尔制药私人有限公司 2022-10-11 — — CN disclosed
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 — — EP disclosed
US-20200046699-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2020-02-13 — — US disclosed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 — — US disclosed
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 — — US disclosed
WO-2014055938-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 — — WO disclosed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 — — EP disclosed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 — — 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-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS SLC7A5 246/4885PTPN1 3393/4885PTGS1 1697/4885
US-20170000789-A1 Methods of Treating Tumoral Diseases, or Bacterial or Viral Infections POLI, RNASE1, VHL SLC7A5 3702/4885PTPN1 3340/4885PTGS1 810/4885
US-12629371-B2 Compositions and methods for inhibiting kinases PTK2, HCK, PTK2B SLC7A5 2097/4885PTPN1 468/4885PTGS1 1969/4885
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES POLI, MCL1, HRAS SLC7A5 2056/4885PTPN1 4062/4885PTGS1 3662/4885
US-20200046699-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES ABL1, FYN, PTK2 SLC7A5 4459/4885PTPN1 239/4885PTGS1 1760/4885

“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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