SCHEMBL5720959

SCHEMBL5720959

N[C@H](CC(=O)O)c1cccc(I)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ ANPEP P15144 1/20 0.46
▸ ENPEP Q07075 1/20 0.46
▸ GABBR2 O75899 1/20 0.43
▸ GABBR1 Q9UBS5 1/20 0.43
▸ CYP2C19 P33261 2/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ KYNU Q16719 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ CPN1 P15169 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CTSB P07858 1/20 0.34

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
SCHEMBL4321103 1.00 KMT2A (0.55) KMT2ASMN1; SMN2ANPEPENPEPGABBR2
SCHEMBL30541423 1.00 KMT2A (0.55) KMT2ASMN1; SMN2ANPEPENPEPGABBR2
SCHEMBL4326548 0.81 SLC6A3 (0.41) KMT2ASMN1; SMN2ANPEPENPEPTACR1
SCHEMBL3864639 0.81 KMT2A (0.60) KMT2ASMN1; SMN2ANPEPENPEPGABBR2
SCHEMBL20545926 0.81 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2ANPEPENPEPGABBR2
SCHEMBL3864634 0.81 KMT2A (0.60) KMT2ASMN1; SMN2ANPEPENPEPGABBR2
SCHEMBL3874627 0.81 KMT2A (0.60) KMT2ASMN1; SMN2ANPEPENPEPGABBR2
SCHEMBL4612046 0.81 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2ANPEPENPEPGABBR2
SCHEMBL20546130 0.79 KMT2A (0.58) KMT2ASMN1; SMN2ANPEPENPEPGABBR2
SCHEMBL21459503 0.79 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2ANPEPENPEPGABBR2

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-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto UBE INDUSTRIES, LTD. (JP) 2006-08-10 — — US disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 — — EP 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-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto ALAD, ARSA, ALDH7A1 KMT2A 4127/4885SMN1; SMN2 3856/4885ANPEP 148/4885

“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.

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