SCHEMBL9104129

SCHEMBL9104129

NCC(=O)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
SELL P14151 2/20 0.58
SELP P16109 2/20 0.58
SELE P16581 2/20 0.58
TPSAB1 Q15661 3/20 0.56
NR1H4 Q96RI1 4/20 0.54
EPHX2 P34913 3/20 0.54
AOC3 Q16853 2/20 0.53
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL18877325 0.83 KMT2A (0.65) KMT2ASELLSELPSELETPSAB1
SCHEMBL417953 0.82 AOC3 (0.72) KMT2ACA1CA2TPSAB1AOC3
SCHEMBL23571643 0.82 TPSAB1 (0.81) CA1CA2TPSAB1AOC3
SCHEMBL27617137 0.82 CA2 (0.62) KMT2ACA1CA2
SCHEMBL18362094 0.81 KMT2A (0.68) KMT2ASELLSELPSELENR1H4
SCHEMBL13884075 0.81 CA2 (0.60) KMT2ACA1CA2TPSAB1NR1H4
SCHEMBL21781874 0.81 CA1 (0.64) CA1CA2TPSAB1EPHX2AOC3
SCHEMBL15808530 0.81 CA2 (0.64) CA1CA2TPSAB1AOC3
Hydrochloric Acid SCHEMBL12478237 0.81 AOC3 (0.73) KMT2ACA1CA2TPSAB1AOC3
Bromide SCHEMBL10352605 0.81 AOC3 (0.70) KMT2ACA1CA2TPSAB1AOC3

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
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120177571-A1 PANCREATIC ENDOCRINE CELL INDICATING AGENT AND UTILIZATION OF SAME RIKEN (JP) 2012-07-12 US disclosed
EP-2460542-A1 PANCREATIC ENDOCRINE CELL INDICATOR AND UTILIZATION OF SAME Riken (JP) 2012-06-06 EP disclosed
WO-2011034078-A1 GLYCINE COMPOUND アステラス製薬株式会社 (JP) 2011-03-24 WO disclosed
WO-2009055002-A1 COMBINED INHIBITORS OF CYCLOOXYGENASE AND SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) (VASCULAR ADHESION PROTEIN, VAP-1) LA JOLLA PHARMACEUTICAL COMPANY (US) 2009-04-30 WO 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 (2 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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB KMT2A 4626/4885CA1 3593/4885CA2 1550/4885
US-20120177571-A1 PANCREATIC ENDOCRINE CELL INDICATING AGENT AND UTILIZATION OF SAME IAPP, SSTR4, SSTR1 KMT2A 2940/4885CA1 167/4885CA2 151/4885

“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.