SCHEMBL23051167

SCHEMBL23051167

CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3ccccc3)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.77
▸ HTR2C P28335 1/20 0.77
▸ PGR P06401 3/20 0.77
▸ PPARG P37231 2/20 0.75
▸ SLC22A6 Q4U2R8 2/20 0.75
▸ SLC22A8 Q8TCC7 2/20 0.75
▸ SLC22A11 Q9NSA0 2/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ DAO P14920 1/20 0.75
▸ SNCA P37840 1/20 0.75
▸ CYP2J2 P51589 1/20 0.75
▸ MAPT P10636 5/20 0.74
▸ ALB P02768 1/20 0.74
▸ ABCC4 O15439 2/20 0.74
▸ TDP1 Q9NUW8 6/20 0.65
▸ APEX1 P27695 3/20 0.65
▸ HSD17B10 Q99714 3/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ POLB P06746 2/20 0.65
▸ RECQL P46063 2/20 0.65

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
SCHEMBL23043566 1.00 NR1I2 (0.77) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL9684932 0.94 NR1I2 (0.75) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL8988439 0.93 NR1I2 (0.73) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL9845713 0.93 NR1I2 (0.73) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL10529854 0.92 NR1I2 (0.74) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL9845743 0.92 NR1I2 (0.71) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL8988378 0.92 NR1I2 (0.71) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL9683674 0.91 NR1I2 (0.79) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL9683389 0.91 NR1I2 (0.72) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL11216841 0.91 NR1I2 (0.74) NR1I2HTR2CPGRPPARGSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177947-A1 Compounds to Identify Beta-Lactamases, and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-09 — — US disclosed
WO-2021041583-A1 COMPOUNDS TO IDENTIFY BETA-LACTAMASES, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-04 — — 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 (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-20220177947-A1 Compounds to Identify Beta-Lactamases, and Methods of Use Thereof GUSB, GLB1, MGAM NR1I2 3639/4885HTR2C 4318/4885PGR 4662/4885

“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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