SCHEMBL1687889

SCHEMBL1687889

CCc1ccc(C(=O)NCCCCC(NC(=O)C(Cc2ccc(C(F)(F)O[PH](=O)O)cc2)NC(=O)C(Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(C)C(=O)NC(CCCCN)C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.53
PTPN2 P17706 4/20 0.53
TLR2 O60603 2/20 0.42
GRB2 P62993 1/20 0.41
PTPN9 P43378 1/20 0.39

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
SCHEMBL10237734 0.99 PTPN1 (0.51) PTPN1PTPN2TLR2GRB2PTPN9
SCHEMBL1687864 0.89 PTPN1 (0.46) PTPN1PTPN2TLR2GRB2
SCHEMBL19423650 0.84 ROCK2 (0.51) PTPN1PTPN2TLR2GRB2
SCHEMBL10236970 0.83 HTRA2 (0.49) PTPN1PTPN2
SCHEMBL10237427 0.82 HTRA2 (0.49) PTPN1PTPN2
SCHEMBL1687880 0.81 PTPN1 (0.78) PTPN1PTPN2PTPN9
SCHEMBL1687879 0.79 PTPN1 (0.75) PTPN1PTPN2PTPN9
SCHEMBL7881120 0.77 PTPN1 (0.62) PTPN1PTPN2PTPN9
SCHEMBL7883486 0.77 PTPN1 (0.62) PTPN1PTPN2PTPN9
SCHEMBL29666861 0.77 PTPN1 (0.51) PTPN1TLR2GRB2

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-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 US disclosed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 US disclosed
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) 2012-04-12 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-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS PTPN1 20/4885PTPN2 26/4885TLR2 4768/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS PTPN1 20/4885PTPN2 26/4885TLR2 4768/4885

“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.