SCHEMBL370241

SCHEMBL370241

COC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CTSK P43235 6/20 0.41
CTSS P25774 4/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
KLK5 Q9Y337 1/20 0.40
GLS O94925 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP2D6 P10635 1/20 0.38
ACE P12821 1/20 0.38
REN P00797 2/20 0.38
HDAC4 P56524 1/20 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
SCHEMBL28948917 1.00 KMT2A (0.43) KMT2ACA12CA14CA1CA2
SCHEMBL30539270 0.89 CYP1A2 (0.50) KMT2ACA1CA2CA7CTSK
SCHEMBL1341495 0.88 CYP1A2 (0.46) CA12CA14CA1CA2CA7
SCHEMBL3819517 0.88 CYP1A2 (0.46) CA12CA14CA1CA2CA7
SCHEMBL295886 0.88 CYP1A2 (0.46) CA12CA14CA1CA2CA7
SCHEMBL2555252 0.87 KMT2A (0.44) KMT2ACA12CA14CA1CA2
SCHEMBL12555978 0.87 KMT2A (0.44) KMT2ACA12CA14CA1CA2
SCHEMBL800751 0.87 KMT2A (0.44) KMT2ACA12CA14CA1CA2
SCHEMBL18220550 0.87 KMT2A (0.44) KMT2ACA12CA14CA1CA2
SCHEMBL29604456 0.87 ACE (0.54) KMT2ACA1CA2CA7CTSK

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
CN-116396353-A Method for realizing trifluoromethylation of cysteine and polypeptide containing cysteine residue by utilizing micro-flow field reaction device 南京工业大学 2023-07-07 CN disclosed
CN-115108953-B Sulfhydrylation of alkynylamides and selective modification of polypeptide cysteines 江西师范大学 2023-06-02 CN disclosed
CN-115108953-A Thiohydrogenation of alkynylamides and selective modification of polypeptide cysteines 江西师范大学 2022-09-27 CN disclosed
CN-114573658-A Method for realizing pyridine selective functionalization of cysteine and polypeptide thereof by using microchannel reactor 南京工业大学 2022-06-03 CN disclosed
US-20160326212-A1 Chemical Modification of Proteins R.P. SCHERER TECHNOLOGIES, LLC 2016-11-10 US disclosed
US-9346851-B2 Chemical modification of proteins R.P. SCHERER TECHNOLOGIES, LLC (US) 2016-05-24 US disclosed
EP-2254900-B1 CHEMICAL MODIFICATION OF PROTEINS ISIS INNOVATION (GB) 2012-03-14 EP disclosed
US-20110144304-A1 Chemical Modification of Proteins REDWOOD BIOSCIENCE, INC. 2011-06-16 US disclosed
WO-2009103941-A1 CHEMICAL MODIFICATION OF PROTEINS ISIS INNOVATION LIMITED (GB) 2009-08-27 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 (2 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-20110144304-A1 Chemical Modification of Proteins SCLY, PTMS, QPCT KMT2A 2362/4885CA12 2552/4885CA14 3121/4885
US-20160326212-A1 Chemical Modification of Proteins SCLY, PTMS, QPCT KMT2A 2362/4885CA12 2552/4885CA14 3121/4885

“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.