SCHEMBL3732124

SCHEMBL3732124

CC(C)(C)OC(=O)NC(Cc1cn(CCF)nn1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
FOLH1 Q04609 2/20 0.39
PTPN1 P18031 6/20 0.38
CDC25B P30305 6/20 0.38
PTPN2 P17706 3/20 0.38
CDC25A P30304 2/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
TACR1 P25103 2/20 0.37
MDM2 Q00987 1/20 0.36
GNRHR P30968 1/20 0.36
MMP13 P45452 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL3732120 1.00 ALDH1A1 (0.39) ALDH1A1FOLH1PTPN1CDC25BPTPN2
SCHEMBL3738997 1.00 ALDH1A1 (0.39) ALDH1A1FOLH1PTPN1CDC25BPTPN2
SCHEMBL16387534 0.91 ALDH1A1 (0.36) ALDH1A1FOLH1PTPN1CDC25BPTPN2
SCHEMBL16387476 0.91 ALDH1A1 (0.36) ALDH1A1FOLH1PTPN1CDC25BPTPN2
SCHEMBL13734628 0.84 FOLH1 (0.42) ALDH1A1FOLH1PTPN1CDC25BPTPN2
SCHEMBL13734630 0.84 FOLH1 (0.42) ALDH1A1FOLH1PTPN1CDC25BPTPN2
SCHEMBL16387590 0.81 ITGA4 (0.38) ALDH1A1PTPN1CDC25BPTPN2CDC25A
SCHEMBL15589990 0.77 FOLH1 (0.40) FOLH1MMP2MMP9MMP8TACR1
SCHEMBL16387592 0.76 CA12 (0.34) ALDH1A1PTPN1CDC25BPTPN2CDC25A
SCHEMBL3784370 0.76 PTPN1 (0.42) PTPN1CDC25BPTPN2CDC25AMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722014-B2 1 H-[1, 2, 3] triazole substituted amino acids and uses thereof WASHINGTON UNIVERSITY (US) 2014-05-13 US disclosed
US-8722014-B2 1 H-[1, 2, 3] triazole substituted amino acids and uses thereof WASHINGTON UNIVERSITY (US) 2014-05-13 US disclosed
US-20100278732-A1 1H-[1, 2, 3] TRIAZOLE SUBSTITUTED AMINO ACIDS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2010-11-04 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-20100278732-A1 1H-[1, 2, 3] TRIAZOLE SUBSTITUTED AMINO ACIDS AND USES THEREOF SLC7A1, SLC1A5, SLC1A3 ALDH1A1 2092/4885FOLH1 165/4885PTPN1 4837/4885

“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.