SCHEMBL21135019

SCHEMBL21135019

CCNC(=O)[C@@H](CCS)NC(=O)[C@@H](CS)NCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.41
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP3 P08254 6/20 0.37
MMP9 P14780 3/20 0.36
FOLH1 Q04609 1/20 0.36
BMP1 P13497 1/20 0.33

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
SCHEMBL21134977 0.90 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21135091 0.90 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21134850 0.90 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21134859 0.90 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21153021 0.90 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21134716 0.90 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21134801 0.90 ACE (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21134714 0.87 BMP1 (0.46) ACEKDM4EMAPTTHRBALOX15
SCHEMBL11112354 0.86 ACE (0.42) ACEKDM4EMAPTTHRBALOX15
Hydrochloric Acid SCHEMBL11111556 0.84 ACE (0.41) ACEKDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190202779-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION SHANGHAI KECHOW PHARMA, INC. (CN) 2019-07-04 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-20190202779-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION MGMT, PRMT8, SULT1A1 ACE 4638/4885KDM4E 3896/4885MAPT 4790/4885

“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.