SCHEMBL3913637

SCHEMBL3913637

Cc1c(-c2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)sc(C(=O)O)c1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.60
PTPN2 P17706 2/20 0.60
PTPN6 P29350 1/20 0.60
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTPRC P08575 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.43
P2RY14 Q15391 1/20 0.43
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3906250 0.91 PTPN1 (0.48) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL3910350 0.91 PTPN1 (0.61) PTPN1PTPN2PTPN6PTPRC
SCHEMBL3911955 0.91 PTPN1 (0.59) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL3912306 0.90 PTPN1 (0.56) PTPN1PTPN2PTPN6NPC1RAB9A
SCHEMBL3909368 0.82 PTPN1 (0.48) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL3905134 0.82 PTPN1 (0.56) PTPN1PTPN2PTPN6PTPRC
SCHEMBL3918777 0.82 PTPN1 (0.52) PTPN1PTPN2
SCHEMBL3903369 0.81 PTPN1 (0.56) PTPN1PTPN2PTPN6
SCHEMBL3904741 0.81 PTPN1 (0.69) PTPN1PTPN2
SCHEMBL3916873 0.80 PTPN1 (0.64) PTPN1PTPN2

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 PTPN1 11/4885PTPN2 17/4885PTPN6 15/4885

“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.