SCHEMBL6153968

SCHEMBL6153968

COc1cccc(-c2nnc(Nc3cccc(Br)c3)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 2/20 0.52
USP2 O75604 1/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
GUSB P08236 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
POLB P06746 2/20 0.48
ESR1 P03372 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
DYRK1A Q13627 1/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 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
SCHEMBL6154281 0.87 NOTUM (0.57) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL6155228 0.84 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL6155606 0.83 GUSB (0.61) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL6154268 0.81 HSD17B1 (0.58) SMN1; SMN2HSD17B10NPC1RAB9APOLB
SCHEMBL6155483 0.80 CSNK2A2 (0.59) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL370983 0.80 NPC1 (0.58) KDM4ESMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL6153927 0.79 ALDH1A1 (0.52) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL6154871 0.79 GUSB (0.61) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL6155879 0.78 MEN1 (0.67) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL2365483 0.78 RAB9A (0.54) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP KDM4E 1133/4885SMN1; SMN2 2211/4885ALDH1A1 961/4885

“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.