SCHEMBL10142404

SCHEMBL10142404

CN[C@@H](CCCNCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.39
FOLH1 Q04609 4/20 0.37
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
NOD1 Q9Y239 5/20 0.34
GNPAT O15228 2/20 0.33
GABRR1 P24046 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
CACNA1B Q00975 1/20 0.31

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
SCHEMBL23743653 0.85 KISS1R (0.36)
SCHEMBL20032178 0.81 NOD1 (0.40) GGT1FOLH1NOD1GNPAT
SCHEMBL20227446 0.81 NOD1 (0.40) GGT1FOLH1NOD1GNPAT
SCHEMBL22100977 0.80 KISS1R (0.44) FOLH1MEN1GAAKMT2ANOD1
SCHEMBL161213 0.80 FOLH1 (0.49) GGT1FOLH1NOD1GNPATGABRR1
SCHEMBL569594 0.80 FOLH1 (0.49) GGT1FOLH1NOD1GNPATGABRR1
SCHEMBL12890791 0.80 KISS1R (0.44) FOLH1MEN1GAAKMT2ANOD1
SCHEMBL13323375 0.80 KISS1R (0.44) FOLH1MEN1GAAKMT2ANOD1
SCHEMBL161214 0.80 FOLH1 (0.49) GGT1FOLH1NOD1GNPATGABRR1
SCHEMBL164121 0.79 FOLH1 (0.56) FOLH1GABRR1SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450275-B2 TFPI inhibitors and methods of use BAXTER INTERNATIONAL INC. (US) 2013-05-28 US disclosed
US-20120028901-A1 TFPI INHIBITORS AND METHODS OF USE BAXTER INTERNATIONAL INC. (US) 2012-02-02 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-20120028901-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F3 GGT1 1378/4885FOLH1 878/4885MEN1 985/4885

“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.