SCHEMBL18211545

SCHEMBL18211545

CC(=O)[C@@H](N)[C@H](O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM4 Q14833 1/20 0.45
ENPP2 Q13822 2/20 0.42
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
PTGS2 P35354 1/20 0.37
NR1I2 O75469 1/20 0.37
PTGS1 P23219 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL32674587 0.86 LMNA (0.51) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL21791552 0.86 LMNA (0.51) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL2065376 0.86 LMNA (0.51) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL21853751 0.86 LMNA (0.51) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL4247092 0.86 LMNA (0.51) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL9007595 0.86 LMNA (0.51) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL21853762 0.86 LMNA (0.51) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL4594968 0.85 LMNA (0.50) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL4594965 0.85 LMNA (0.47) LMNATSHRMEN1CYP3A4KMT2A
SCHEMBL2996166 0.82 LMNA (0.48) LMNATSHRMEN1CYP3A4KMT2A

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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 LMNA 928/4885TSHR 4614/4885MEN1 230/4885

“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.