SCHEMBL3276902

SCHEMBL3276902

NN(c1ccccc1)[C@@H](CO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD2 O60906 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 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
SCHEMBL7537102 1.00 SMPD2 (0.39) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL6550464 0.83 ALDH1A1 (0.44) NPSR1ALDH1A1KMT2ANPC1POLB
Hydrochloric Acid SCHEMBL2313635 0.81 ALDH1A1 (0.43) NPSR1ALDH1A1KMT2ANPC1POLB
SCHEMBL21776703 0.80 NPSR1 (0.41) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL29442908 0.78 NPSR1 (0.40) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL3276914 0.78 ALDH1A1 (0.41) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL27779216 0.78 SMPD2 (0.38) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL4564576 0.77 ALDH1A1 (0.41) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL10381409 0.77 ALDH1A1 (0.41) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL3272814 0.77 SMPD2 (0.42) SMPD2NPSR1ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687435-B2 Benzoyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2010-03-30 US disclosed
US-20070142230-A1 Benzoyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2007-06-21 US disclosed
US-20070060480-A1 Heteroaroyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
EP-1203083-A1 CHLORAMPHENICOL BIOSYNTHETIC PATHWAY AND GENE CLUSTER CHARACTERIZATION Diversa Corporation (US) 2002-05-08 EP disclosed
WO-2000070056-A9 CHLORAMPHENICOL BIOSYNTHETIC PATHWAY AND GENE CLUSTER CHARACTERIZATION DIVERSA CORP (US) 2001-11-29 WO disclosed
WO-2000070056-A1 CHLORAMPHENICOL BIOSYNTHETIC PATHWAY AND GENE CLUSTER CHARACTERIZATION DIVERSA CORPORATION (US) 2000-11-23 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-20070142230-A1 Benzoyl-substituted phenylalanineamides PAH, TYR, BCAT2 SMPD2 1895/4885NPSR1 558/4885ALDH1A1 1239/4885
US-20070060480-A1 Heteroaroyl-substituted phenylalanineamides PAH, PM20D2, FARSA SMPD2 3494/4885NPSR1 1166/4885ALDH1A1 2661/4885

“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.