SCHEMBL2317030

SCHEMBL2317030

C[C@@]1(C(=O)O)C[C@@H](OS(C)(=O)=O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C19 P33261 1/20 0.38
POLB P06746 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
SCHEMBL2356930 1.00 HTR2C (0.41) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2356933 1.00 HTR2C (0.41) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL18340933 0.83 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2146179 0.83 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2502213 0.83 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL20298070 0.81 HTR2C (0.40) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL9519485 0.81 SMN1; SMN2 (0.40) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1336851 0.80 HTR2C (0.45) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2493522 0.80 HTR2C (0.45) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL17237781 0.80 HTR2C (0.45) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 US disclosed
WO-2011092671-A1 PROLINE DERIVATIVES FOR USE IN THE TREATMENT OF DIABETES RANBAXY LABORATORIES LIMITED (IN) 2011-08-04 WO 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-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX HTR2C 4810/4885SMN1; SMN2 1991/4885NPC1 1020/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX HTR2C 4801/4885SMN1; SMN2 2007/4885NPC1 1059/4885

“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.