SCHEMBL13640201

SCHEMBL13640201

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.44
CTSS P25774 7/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL1338105 1.00 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL2446579 1.00 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL29727325 0.92 CTSK (0.50) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL30788958 0.92 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL4702036 0.87 CYP1A2 (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1519852 0.86 CYP1A2 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1712024 0.86 CYP1A2 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1743738 0.86 CYP1A2 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL24299005 0.85 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL22035781 0.85 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118858486-A Chiral detection method of (2R) -2- [ [ tert-butoxycarbonyl ] amino ] -4-iodobutyric acid methyl ester 上海吉奉生物科技有限公司 2024-10-29 CN claimed
CN-118858486-A Chiral detection method of (2R) -2- [ [ tert-butoxycarbonyl ] amino ] -4-iodobutyric acid methyl ester 上海吉奉生物科技有限公司 2024-10-29 CN disclosed
CN-118858486-A Chiral detection method of (2R) -2- [ [ tert-butoxycarbonyl ] amino ] -4-iodobutyric acid methyl ester 上海吉奉生物科技有限公司 2024-10-29 CN disclosed
CN-118858486-A Chiral detection method of (2R) -2- [ [ tert-butoxycarbonyl ] amino ] -4-iodobutyric acid methyl ester 上海吉奉生物科技有限公司 2024-10-29 CN disclosed
EP-2524925-B1 LANTHIONINE DERIVATIVE AJINOMOTO KK (JP) 2016-08-17 EP disclosed
US-8568814-B2 Lanthionine derivatives AJINOMOTO CO., INC. (JP) 2013-10-29 US disclosed
US-8568814-B2 Lanthionine derivatives AJINOMOTO CO., INC. (JP) 2013-10-29 US disclosed
US-20120282386-A1 LANTHIONINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2012-11-08 US 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 (1 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-20120282386-A1 LANTHIONINE DERIVATIVES CASR, KCNJ5, CALCR CTSK 693/4885CTSS 1628/4885CYP1A2 4081/4885

“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.