SCHEMBL19736048

SCHEMBL19736048

CC(C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.64
KMT2A Q03164 5/20 0.62
BCL2 P10415 5/20 0.62
MEN1 O00255 4/20 0.62
MCL1 Q07820 3/20 0.62
BCL2L1 Q07817 1/20 0.62
BAK1 Q16611 1/20 0.62
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CISD1 Q9NZ45 2/20 0.60
MAOB P27338 1/20 0.60
BCL2L2 Q92843 1/20 0.58
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
POLB P06746 2/20 0.58
HSP90AA1 P07900 1/20 0.58
MAP3K5 Q99683 1/20 0.56
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL29408635 1.00 PTPN1 (0.64) PTPN1KMT2ABCL2MEN1MCL1
SCHEMBL14163443 0.89 KMT2A (0.78) PTPN1KMT2ABCL2MEN1MCL1
SCHEMBL25997992 0.89 MAPT (0.67) KMT2ABCL2MEN1MCL1BCL2L1
SCHEMBL22092338 0.88 MCL1 (0.67) PTPN1KMT2ABCL2MEN1MCL1
SCHEMBL19736247 0.85 MAPT (0.69) PTPN1KMT2ABCL2MEN1MCL1
SCHEMBL29408609 0.85 MAPT (0.69) PTPN1KMT2ABCL2MEN1MCL1
SCHEMBL15709086 0.80 MEN1 (0.60) KMT2ABCL2MEN1MCL1BCL2L1
SCHEMBL15709085 0.80 MEN1 (0.60) KMT2ABCL2MEN1MCL1BCL2L1
SCHEMBL6884827 0.79 PTPN1 (0.67) PTPN1KMT2ABCL2MEN1MAPT
SCHEMBL7485788 0.79 PTPN1 (0.55) PTPN1KMT2ABCL2MEN1MCL1

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 PTPN1 4259/4885KMT2A 4486/4885BCL2 3042/4885

“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.