SCHEMBL648083

SCHEMBL648083

CNC(=O)c1cccc(Cc2ccc(N3CC(=O)NS3(=O)=O)c(OCc3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
BRD4 O60885 1/20 0.43
PTPN1 P18031 3/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
MET P08581 1/20 0.40
SMPD1 P17405 4/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RIPK1 Q13546 1/20 0.38
PTGER1 P34995 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL649136 0.92 PTPN1 (0.44) PTPN1MRGPRX4ALDH1A1GAASMN1; SMN2
SCHEMBL647267 0.91 MRGPRX4 (0.43) MEN1KMT2APTPN1MRGPRX4SMN1; SMN2
SCHEMBL646919 0.87 PTPN1 (0.47) PTPN1ALDH1A1NPC1RAB9AMAPT
SCHEMBL647257 0.84 PTPN1 (0.54) PTPN1HDAC6HDAC8RIPK1
SCHEMBL649370 0.83 PTPN1 (0.54) PTPN1HDAC6HDAC8RIPK1
SCHEMBL3915822 0.83 ABCB1 (0.43) MEN1KMT2APTPN1HDAC6HDAC1
SCHEMBL3917680 0.81 PTPN1 (0.45) MEN1KMT2ABRD4PTPN1SMPD1
SCHEMBL3915511 0.81 PTPN1 (0.42) MEN1KMT2APTPN1ALDH1A1GAA
SCHEMBL3917093 0.81 PTPN1 (0.42) MEN1KMT2APTPN1SMPD1HDAC6
SCHEMBL3920465 0.81 PTPN1 (0.45) BRD4PTPN1PTGER1

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-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 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 (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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR MEN1 3927/4885KMT2A 2549/4885BRD4 3258/4885

“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.