SCHEMBL12986944

SCHEMBL12986944

NC(=O)CCC(NC(=O)OCCl)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
FOLH1 Q04609 7/20 0.43
CA2 P00918 5/20 0.43
CA1 P00915 4/20 0.43
RIMKLA Q8IXN7 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
MME P08473 1/20 0.41
ECE1 P42892 1/20 0.41
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38

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
SCHEMBL22341277 0.86 FOLH1 (0.58) FOLH1RIMKLANAALAD2
SCHEMBL12987950 0.83 ECE1 (0.44) KMT2AFOLH1CA2CA1MME
SCHEMBL13195868 0.83 L3MBTL1 (0.49) KMT2AALOX15
SCHEMBL28879483 0.83 L3MBTL1 (0.49) KMT2AALOX15
SCHEMBL28836247 0.83 KMT2A (0.42) KMT2AFOLH1CA2CA1RIMKLA
SCHEMBL28836244 0.83 KMT2A (0.42) KMT2AFOLH1CA2CA1RIMKLA
Hydrochloric Acid SCHEMBL28220853 0.82 FOLH1 (0.46) KMT2AFOLH1CA2CA1RIMKLA
SCHEMBL27623042 0.81 FOLH1 (0.50) KMT2AFOLH1CA2CA1RIMKLA
SCHEMBL21538566 0.81 FOLH1 (0.51) KMT2AFOLH1CA2CA1RIMKLA
SCHEMBL18190841 0.81 FOLH1 (0.51) KMT2AFOLH1CA2CA1RIMKLA

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 23 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-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
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
EP-3532066-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES Inhibikase Therapeutics, Inc. (US) 2019-09-04 EP disclosed
WO-2018081251-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. (US) 2018-05-03 WO disclosed
US-9907796-B2 Methods of treating tumoral diseases, or bacterial or viral infections INHIBIKASE THERAPEUTICS, INC. (US) 2018-03-06 US disclosed
EP-2903979-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES Inhibikase Therapeutics, Inc. (US) 2015-08-12 EP 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 (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-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS KMT2A 645/4885FOLH1 35/4885CA2 3448/4885
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES POLI, MCL1, HRAS KMT2A 3522/4885FOLH1 1253/4885CA2 4709/4885
US-20200046699-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES ABL1, FYN, PTK2 KMT2A 1149/4885FOLH1 3896/4885CA2 2347/4885

“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.