SCHEMBL3370482

SCHEMBL3370482

CC[C@H](NC(=O)O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
LMNA P02545 3/20 0.63
TSHR P16473 2/20 0.63
KDM4E B2RXH2 1/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
EPHX2 P34913 2/20 0.56
KCNA5 P22460 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
SLC6A9 P48067 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
TACR3 P29371 3/20 0.51
TACR2 P21452 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TP53 P04637 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
SCHEMBL3376152 1.00 ALDH1A1 (0.63) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL2022347 1.00 ALDH1A1 (0.63) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL15093820 0.88 EPHX2 (0.65) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL186238 0.86 LMNA (0.61) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL186230 0.86 LMNA (0.61) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL186416 0.86 LMNA (0.61) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL3352726 0.85 LMNA (0.53) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL16316844 0.85 LMNA (0.59) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL14535420 0.85 ALDH1A1 (0.59) ALDH1A1LMNATSHRKDM4EHPGD
SCHEMBL11139016 0.85 LMNA (0.59) ALDH1A1LMNATSHRKDM4EHPGD

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
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 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-20080194549-A1 Organic Compounds REN, ACE, OTC ALDH1A1 224/4885LMNA 3042/4885TSHR 2274/4885

“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.