SCHEMBL1280046

SCHEMBL1280046

COC(=O)Nc1nncs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL5838495 0.82 CA1 (0.49) RAB9AALDH1A1HSD17B10HPGDTAAR1
SCHEMBL1280159 0.82 LMNA (0.51) RAB9AALDH1A1HSD17B10HPGDTAAR1
SCHEMBL564354 0.82
SCHEMBL20603903 0.78
SCHEMBL11623839 0.77 TAAR1 (0.60) RAB9AALDH1A1HSD17B10HPGDTAAR1
SCHEMBL10467309 0.76
SCHEMBL3989080 0.76
SCHEMBL1107001 0.76 LMNA (0.62) RAB9AALDH1A1HSD17B10HPGDTAAR1
SCHEMBL12649504 0.76 POLB (0.60) ALDH1A1HSD17B10HPGDTAAR1POLB
SCHEMBL12599389 0.76 NR3C1 (0.53) RAB9AALDH1A1HSD17B10HPGDTAAR1

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-8575144-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2013-11-05 US disclosed
US-8299051-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2012-10-30 US disclosed
US-20120088779-A1 HETEROCYCLIC SULFONAMIDES CYTOKINETICS, INC. 2012-04-12 US disclosed
US-20100009954-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS SOUTHERN METHODIST UNIVERSITY 2010-01-14 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-20120088779-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 RAB9A 2529/4885ALDH1A1 4297/4885HSD17B10 4008/4885
US-20100009954-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS MGAM, GUSB, LCT RAB9A 2141/4885ALDH1A1 737/4885HSD17B10 534/4885

“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.