SCHEMBL4127089

SCHEMBL4127089

CC(C)CC(=O)N(c1cccc(-c2csc3c(OCC(=O)O)c(C(=O)O)sc23)c1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.41
POLB P06746 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN2 P17706 2/20 0.35
PTPRC P08575 1/20 0.35

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
SCHEMBL4124234 0.89 PTPN1 (0.42) PTPN1PTPN2PTPRC
SCHEMBL4121435 0.88 PTPN1 (0.44) PTPN1PTPN2PTPRC
SCHEMBL4139259 0.86 POLB (0.36) PTPN1POLBTRPM8KDM4EMEN1
Thiophene Carboxylic Acid SCHEMBL6508860 0.85 PTPN1 (0.39) PTPN1POLBPTPN2
SCHEMBL4127835 0.76 ALDH1A1 (0.36) PTPN1TRPM8MEN1ALDH1A1KMT2A
SCHEMBL4119103 0.75 PTPN1 (0.69) PTPN1PTPN2PTPRC
SCHEMBL4131867 0.74 ALDH1A1 (0.34) PTPN1TRPM8ALDH1A1SMN1; SMN2
SCHEMBL3909947 0.74 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL3913029 0.74 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL3909135 0.74 PTPN1 (0.51) PTPN1PTPN2PTPRC

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-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-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 (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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885POLB 3952/4885TRPM8 4253/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885POLB 3952/4885TRPM8 4253/4885

“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.