SCHEMBL3907342

SCHEMBL3907342

COC(=O)c1sc(-c2cccc(N(C(=O)C=Cc3ccccc3)C3CCCCC3)c2)c(Cl)c1OCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.49
PTPN1 P18031 5/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPY2R P49146 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3905962 1.00 TRPM8 (0.49) TRPM8PTPN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3908341 0.92 TRPM8 (0.50) TRPM8PTPN1ALDH1A1SMN1; SMN2NPY2R
SCHEMBL3908340 0.92 TRPM8 (0.50) TRPM8PTPN1ALDH1A1SMN1; SMN2NPY2R
SCHEMBL3907376 0.91 PTPN1 (0.51) TRPM8PTPN1
SCHEMBL3907377 0.91 PTPN1 (0.51) TRPM8PTPN1
SCHEMBL3916034 0.88 PTPN1 (0.47) PTPN1
SCHEMBL3911918 0.87 PTPN1 (0.43) TRPM8PTPN1
SCHEMBL3908731 0.86 PTPN1 (0.43) PTPN1NR1H4
SCHEMBL3903827 0.80 PTPN1 (0.50) PTPN1
SCHEMBL3904864 0.80 PTPN1 (0.50) PTPN1

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-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO 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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM TRPM8 4527/4885PTPN1 11/4885ALDH1A1 2158/4885

“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.