SCHEMBL3909668

SCHEMBL3909668

N[C@@H](CC(=O)O)C(O)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SCN4A P35499 2/20 0.47
ALOX15 P16050 1/20 0.47
FFAR1 O14842 1/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 2/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6610191 0.81 LMNA (0.44) LMNASCN4AMTNR1AMTNR1BLTA4H
SCHEMBL27885872 0.81 LMNA (0.44) LMNASCN4AMTNR1AMTNR1BLTA4H
SCHEMBL3894704 0.80 PSMB5 (0.39) LMNAFFAR1KMT2ASMN1; SMN2LTA4H
SCHEMBL4744800 0.79 CYP2D6 (0.57) LMNAALOX15SMN1; SMN2ADRB2ADRB1
SCHEMBL666863 0.79 CYP2D6 (0.57) LMNAALOX15SMN1; SMN2ADRB2ADRB1
SCHEMBL9564637 0.78 LMNA (0.68) LMNASCN4AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL7268804 0.77 LMNA (0.58) LMNASCN4AMTNR1AMTNR1BKMT2A
SCHEMBL8669507 0.75 LMNA (0.47) LMNASCN4AALOX15ADRB2ADRB1
Hydrochloric Acid SCHEMBL7428095 0.75 LMNA (0.56) LMNASCN4AMTNR1AMTNR1BKMT2A
SCHEMBL835106 0.75 LMNA (0.66) LMNASCN4AMTNR1AMTNR1BKMT2A

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-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 EP disclosed
US-7557133-B2 Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD. (KR) 2009-07-07 US disclosed
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring LG CHEM, LTD. (KR) 2006-10-05 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-20060223848-A1 Caspase inhibitors containing isoxazoline ring CASP1, CASP7, CASP2 LMNA 366/4885SCN4A 3354/4885ALOX15 349/4885

“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.