SCHEMBL6736592

SCHEMBL6736592

CN1[C@@H](C(=O)O)[C@@H]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ EDNRA P25101 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38

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
SCHEMBL6739705 1.00 ATM (0.42) ATMALDH1A1ELANEPOLBMEN1
SCHEMBL28326103 0.78 ENPP2 (0.46) RIPK1
SCHEMBL19741606 0.76 KMT2A (0.48) ALDH1A1POLBMEN1KMT2ANPSR1
SCHEMBL24643266 0.71 RIPK1 (0.40) ELANEPOLBMEN1KMT2AEDNRA
SCHEMBL10685501 0.71 LMNA (0.58) ATMALDH1A1POLBMEN1KMT2A
SCHEMBL28327170 0.71 MEN1 (0.47) ALDH1A1POLBMEN1KMT2AACE
SCHEMBL30561555 0.70 ATM (0.48) ATMALDH1A1MEN1KMT2ARIPK1
SCHEMBL8517882 0.70 ATM (0.48) ATMALDH1A1MEN1KMT2ARIPK1
SCHEMBL27979491 0.70 ATM (0.48) ATMALDH1A1MEN1KMT2ARIPK1
SCHEMBL8660338 0.70 ATM (0.48) ATMALDH1A1MEN1KMT2ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142975-A1 Beta disubstituted metalloprotease inhibitors THE PROCTER &GAMBLE COMPANY 2004-07-22 — — 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-20040142975-A1 Beta disubstituted metalloprotease inhibitors ADAM17, ADAM9, SI ATM 4767/4885ALDH1A1 317/4885ELANE 92/4885

“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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