SCHEMBL17898606

SCHEMBL17898606

C=C(NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
CTSK P43235 8/20 0.46
CTSS P25774 5/20 0.46
FOLH1 Q04609 1/20 0.44
TGM2 P21980 2/20 0.43
CAPN1 P07384 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
SIRT5 Q9NXA8 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ATM Q13315 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CXCR3 P49682 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
SCHEMBL17771364 1.00 MEN1 (0.49) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL17898605 0.90 CA1 (0.44) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL2211809 0.87 FOLH1 (0.58) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL12643955 0.87 FOLH1 (0.58) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL7718173 0.87 FOLH1 (0.58) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL3445777 0.86 MEN1 (0.65) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL10241524 0.86 MEN1 (0.65) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL391537 0.86 MEN1 (0.65) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL16521928 0.85 CA1 (0.48) MEN1GAAKMT2ACTSKCTSS
SCHEMBL20143076 0.85 MEN1 (0.55) MEN1GAAKMT2AALDH1A1TSHR

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-20160194278-A1 DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-07-07 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-20160194278-A1 DITHIOL MUCOLYTIC AGENTS MUC1, DNASE1, MMP8 MEN1 3223/4885GAA 122/4885KMT2A 4277/4885

“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.