SCHEMBL4346431

SCHEMBL4346431

CC(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ALDH1A1 P00352 7/20 0.49
▸ HSD17B10 Q99714 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ SLC15A2 Q16348 2/20 0.49
▸ CTDSP1 Q9GZU7 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ NR1I2 O75469 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ BLM P54132 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ADRA1A P35348 1/20 0.49

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
SCHEMBL4341952 1.00 PTGS1 (0.54) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL11710209 0.91 PTGS1 (0.55) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL11710215 0.91 PTGS1 (0.55) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL4355038 0.91 PTGS1 (0.54) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL4338697 0.91 PTGS1 (0.54) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL9371427 0.90 PTGS1 (0.49) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL9371430 0.90 PTGS1 (0.49) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL18623606 0.89 PTGS1 (0.48) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL14074295 0.89 PTGS1 (0.48) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL11692054 0.89 PTGS1 (0.69) PTGS1L3MBTL1HSD17B10MAPTTDP1

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
US-9476087-B2 Methods and compounds for detecting beta-lactamase activity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-10-25 — — US disclosed
US-20140322739-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY UNIV NANYANG TECH (SG) 2014-10-30 — — US disclosed
US-8802387-B2 Methods and compounds for detecting beta-lactamase activity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-12 — — US disclosed
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY NANYANG TECHNOLOGICAL UNIVERSITY 2009-11-05 — — 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 (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-20140322739-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB PTGS1 4211/4885L3MBTL1 208/4885ALDH1A1 1946/4885
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB PTGS1 4249/4885L3MBTL1 209/4885ALDH1A1 2032/4885

“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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