SCHEMBL6284559

SCHEMBL6284559

COc1c(Br)cc(C(=O)CCC(C)=O)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.47
TSHR P16473 1/20 0.46
APOBEC3A P31941 1/20 0.46
HTT P42858 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MMP1 P03956 1/20 0.38
CTNNB1 P35222 1/20 0.37
WNT3A P56704 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
SCHEMBL21373264 0.80 GSK3B (0.52) TPMTTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL26810030 0.80 TPMT (0.51) TPMTTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL9839394 0.77 SMN1; SMN2 (0.50) SMN1; SMN2HPGDKDM4ELMNAMAPT
SCHEMBL3546802 0.74 TPMT (0.79) TPMTTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL6286372 0.72 GSK3B (0.57) SMN1; SMN2HPGDKDM4ELMNAMAPT
SCHEMBL9828028 0.72 MEN1 (0.62) TPMTSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL10672750 0.72 TPMT (0.55) TPMTTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL985767 0.72 TPMT (0.55) TPMTTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL3349066 0.72 TPMT (0.59) TPMTTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL7655117 0.72 TPMT (0.55) TPMTTSHRAPOBEC3AHTTAPOBEC3G

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 EP 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM TPMT 626/4885TSHR 1221/4885APOBEC3A 4854/4885

“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.