SCHEMBL19736091

SCHEMBL19736091

COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(F)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.70
PTPN1 P18031 1/20 0.70
KMT2A Q03164 3/20 0.67
POLB P06746 2/20 0.67
MEN1 O00255 2/20 0.67
ADAMTS5 Q9UNA0 1/20 0.62
USP2 O75604 1/20 0.61
NCOA1 Q15788 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NCOA3 Q9Y6Q9 1/20 0.61
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60

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
SCHEMBL29408633 1.00 AKR1B1 (0.70) AKR1B1PTPN1KMT2APOLBMEN1
SCHEMBL25994516 0.91 AKR1B1 (0.71) AKR1B1PTPN1KMT2APOLBMEN1
SCHEMBL6720208 0.89 AKR1B1 (0.79) AKR1B1PTPN1KMT2APOLBMEN1
SCHEMBL29408606 0.88 KMT2A (0.80) AKR1B1PTPN1KMT2APOLBMEN1
SCHEMBL19736047 0.88 KMT2A (0.80) AKR1B1PTPN1KMT2APOLBMEN1
SCHEMBL25997609 0.88 KMT2A (0.73) AKR1B1PTPN1KMT2APOLBMEN1
SCHEMBL5217584 0.86 ADAMTS5 (0.70) AKR1B1PTPN1ADAMTS5
SCHEMBL5215486 0.86 ADAMTS5 (0.70) AKR1B1PTPN1ADAMTS5
SCHEMBL29408644 0.86 AKR1B1 (0.79) AKR1B1PTPN1KMT2APOLBMEN1
SCHEMBL19736233 0.86 AKR1B1 (0.79) AKR1B1PTPN1KMT2APOLBMEN1

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-20190307729-A1 ANTIMICROBIAL COMPOUNDS AND METHODS FOR USE THEREOF VERSITECH LIMITED (HK) 2019-10-10 US disclosed
WO-2017215552-A1 ANTIMICROBIAL COMPOUNDS AND METHODS FOR USE THEREOF THE UNIVERSITY OF HONG KONG (CN) 2017-12-21 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-20190307729-A1 ANTIMICROBIAL COMPOUNDS AND METHODS FOR USE THEREOF NRDC, NISCH, NEK5 AKR1B1 3100/4885PTPN1 4259/4885KMT2A 4486/4885

“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.