SCHEMBL4127835

SCHEMBL4127835

CCOC(=O)COc1c(C(=O)OC)sc2c(-c3cccc(N(C(=O)OC)C4CCCCC4)c3)csc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35
OPRM1 P35372 1/20 0.34
PDE2A O00408 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
PTPN1 P18031 3/20 0.32
ESR1 P03372 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
F9 P00740 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 1/20 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
SCHEMBL4131867 0.92 ALDH1A1 (0.34) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL4139259 0.91 POLB (0.36) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL4121435 0.86 PTPN1 (0.44) OPRM1PTPN1
SCHEMBL4141672 0.83 PTPN1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3191956 0.81 F9 (0.33) ALDH1A1OPRM1PDE2APDE3BPDE3A
SCHEMBL4127833 0.81 MGLL (0.49) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL4131939 0.79 HSD17B10 (0.41) ALDH1A1MAPTLMNASMN1; SMN2PTPN1
SCHEMBL3181101 0.79 ALDH1A1 (0.35) ALDH1A1MAPTPTPN1TRPM8F9
SCHEMBL3191974 0.78 PDE2A (0.33) ALDH1A1MAPTSMN1; SMN2PDE2APDE3B
SCHEMBL4125985 0.77 PTPN1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2PTPN1

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 ALDH1A1 2329/4885MAPT 3303/4885LMNA 4856/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM ALDH1A1 2329/4885MAPT 3303/4885LMNA 4856/4885

“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.