SCHEMBL3912922

SCHEMBL3912922

O=C1CCN(S(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.69
HPGD P15428 2/20 0.69
KMT2A Q03164 2/20 0.56
RAB9A P51151 1/20 0.55
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 4/20 0.52
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL735675 0.87 TSHR (0.81) TSHRHPGDKMT2ARAB9ANPC1
SCHEMBL6738518 0.83 TSHR (0.96) TSHRHPGDKMT2ARAB9ANPC1
SCHEMBL3936704 0.81 TSHR (1.00) TSHRHPGDKMT2ARAB9ANPC1
SCHEMBL9612077 0.81 TSHR (1.00) TSHRHPGDKMT2ARAB9ANPC1
SCHEMBL5127258 0.80 TSHR (0.71) TSHRHPGDKMT2ARAB9ANPC1
Hydrazine SCHEMBL28119021 0.80 TSHR (0.89) TSHRHPGDKMT2ARAB9ANPC1
SCHEMBL28949192 0.79 HPGD (0.68) TSHRHPGDKMT2ARAB9AALDH1A1
SCHEMBL656086 0.79 TSHR (0.69) TSHRHPGDKMT2ARAB9ANPC1
SCHEMBL3778246 0.79 LMNA (0.71) TSHRHPGDKMT2ARAB9ANPC1
SCHEMBL4608001 0.79 KMT2A (0.85) TSHRHPGDKMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 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 (2 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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM TSHR 1019/4885HPGD 3417/4885KMT2A 2996/4885
US-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR TSHR 682/4885HPGD 3761/4885KMT2A 2570/4885

“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.