SCHEMBL5128420

SCHEMBL5128420

COC(=O)CN(c1csc(-c2cccc(N(C(N)=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1C)S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.43
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPRC P08575 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTPN2 P17706 1/20 0.39
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
OPRM1 P35372 1/20 0.36

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
SCHEMBL5130066 0.82 PTPN1 (0.38) PTPN1MAPTNPSR1ALDH1A1HPGD
SCHEMBL5120103 0.78 MAPK1 (0.35) MAPTALDH1A1PKMTSHR
SCHEMBL5123269 0.73 PTPN1 (0.43) PTPN1PTPRCCYP2C9PTPN2TSHR
SCHEMBL5118668 0.70 ALDH1A1 (0.46) MAPTALDH1A1
SCHEMBL5127605 0.69 PTPN1 (0.46) PTPN1ALDH1A1PTPN2
SCHEMBL5121734 0.69 PTPN1 (0.64) PTPN1MAPTNPSR1ALDH1A1HPGD
SCHEMBL3908599 0.68 PTPN1 (0.68) PTPN1PTPRCCYP2C9PTPN2
SCHEMBL5128432 0.67 PTPN1 (0.64) PTPN1PTPRCCYP2C9PTPN2
SCHEMBL5117056 0.67 ALDH1A1 (0.41) PTPN1MAPTNPSR1ALDH1A1HPGD
SCHEMBL5112961 0.66 NR1I2 (0.42) PTPN1MAPTALDH1A1PKMTSHR

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 18/4885MAPT 3063/4885NPSR1 3718/4885

“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.