SCHEMBL5117004

SCHEMBL5117004

COC(=O)CN(c1csc(-c2cccc(NC3CCCCC3)c2)c1C)S(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.39
PTK2 Q05397 1/20 0.34
PTPN2 P17706 2/20 0.33
CACNA1B Q00975 1/20 0.33
FYN P06241 1/20 0.33
TSHR P16473 1/20 0.32
TGFBR1 P36897 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC8 Q9BY41 2/20 0.32

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
SCHEMBL5116798 0.89 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL5123269 0.86 PTPN1 (0.43) PTPN1PTK2PTPN2FYNTSHR
SCHEMBL5128482 0.83 ALDH1A1 (0.32) PTPN1HDAC3HDAC1HDAC2HDAC10
SCHEMBL5123264 0.83 CA12 (0.39) PTPN1TSHR
SCHEMBL5117806 0.82 ALOX5 (0.42)
SCHEMBL5116472 0.75 ALOX5 (0.42)
SCHEMBL5127766 0.74 CA12 (0.39) PTPN1TSHR
SCHEMBL5127605 0.74 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL5130066 0.73 PTPN1 (0.38) PTPN1PTPN2
SCHEMBL5123712 0.73 CA12 (0.39) PTPN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 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-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR PTPN1 18/4885PTK2 540/4885PTPN2 14/4885

“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.