SCHEMBL16202385

SCHEMBL16202385

O=CNC1C(=O)N2C(C(=O)O)=C(CS)CSC12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.47
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
PTGS2 P35354 1/20 0.47
KDR P35968 1/20 0.47
TDP1 Q9NUW8 4/20 0.47
CA5A P35218 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
PTPN11 Q06124 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
MAPK1 P28482 1/20 0.45
PTGS1 P23219 1/20 0.44
HPGD P15428 1/20 0.44
DNMT1 P26358 1/20 0.44

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
SCHEMBL11504463 0.89 CA5A (0.57) NR1I2ESR1PGRPTGS2KDR
SCHEMBL11697100 0.89 CA5A (0.57) NR1I2ESR1PGRPTGS2KDR
SCHEMBL10897899 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL11161263 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL10863671 0.88 CA5A (0.56) NR1I2ESR1PGRPTGS2KDR
SCHEMBL8441808 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL8441810 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL11161264 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL10897895 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR
SCHEMBL4348994 0.88 NR1I2 (0.47) NR1I2ESR1PGRPTGS2KDR

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
WO-2020099858-A1 CEPHALOSPORIN CIPROFLOXACIN HYBRID COMPOUNDS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-05-22 WO disclosed
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

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-20140322739-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB NR1I2 2684/4885ESR1 1516/4885PGR 3954/4885

“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.