SCHEMBL4551871

SCHEMBL4551871

CN1C(=O)C(=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c2cc(Br)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.63
TDP1 Q9NUW8 4/20 0.56
POLB P06746 4/20 0.56
CTDSP1 Q9GZU7 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
DUSP3 P51452 2/20 0.56
MCL1 Q07820 2/20 0.56
CCR6 P51684 2/20 0.56
USP2 O75604 1/20 0.56
PKM P14618 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
MAPT P10636 5/20 0.48
NLRP3 Q96P20 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL4551869 1.00 PIM1 (0.63) PIM1TDP1POLBCTDSP1MEN1
SCHEMBL4551870 1.00 PIM1 (0.63) PIM1TDP1POLBCTDSP1MEN1
SCHEMBL4797604 0.84 MEN1 (0.68) PIM1TDP1POLBCTDSP1MEN1
SCHEMBL14252589 0.84 MEN1 (0.68) PIM1TDP1POLBCTDSP1MEN1
SCHEMBL4797610 0.84 MEN1 (0.68) PIM1TDP1POLBCTDSP1MEN1
SCHEMBL13362124 0.84 PIM1 (0.64) PIM1TDP1POLBCTDSP1MEN1
SCHEMBL12934213 0.75 MEN1 (0.68) TDP1POLBCTDSP1MEN1KMT2A
SCHEMBL8931579 0.72 DUSP3 (0.42) TDP1POLBCTDSP1MEN1KMT2A
SCHEMBL2084943 0.71 MEN1 (0.85) TDP1POLBCTDSP1MEN1KMT2A
SCHEMBL2084941 0.71 MEN1 (0.85) TDP1POLBCTDSP1MEN1KMT2A

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-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP PIM1 1784/4885TDP1 624/4885POLB 1869/4885

“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.