SCHEMBL3276914

SCHEMBL3276914

NC(=O)N(c1ccccc1)[C@@H](CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 3/20 0.38
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMPD2 O60906 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
ALOX5 P09917 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL1797186 0.86 ALDH1A1 (0.39) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL4456102 0.83 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL22588881 0.83 ALPI (0.49) ALDH1A1MAPTHSD17B10NPSR1ALPI
SCHEMBL22588878 0.83 ALPI (0.49) ALDH1A1MAPTHSD17B10NPSR1ALPI
SCHEMBL7405523 0.82 ALDH1A1 (0.45) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL7405520 0.82 ALDH1A1 (0.45) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL10861618 0.82 MLYCD (0.45) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL27888110 0.82 MLYCD (0.45) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL28294340 0.81 KMT2A (0.40) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL28292699 0.81 ALDH1A1 (0.41) ALDH1A1LMNATP53SMN1; SMN2TSHR

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-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

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 ALDH1A1 1239/4885LMNA 2263/4885TP53 3399/4885
US-20070060480-A1 Heteroaroyl-substituted phenylalanineamides PAH, PM20D2, FARSA ALDH1A1 2661/4885LMNA 3067/4885TP53 3606/4885

“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.