SCHEMBL1687879

SCHEMBL1687879

CCc1ccc(C(=O)NCCCCC(NC(=O)C(Cc2ccc(C(F)(F)O[PH](=O)O)cc2)NC(C)=O)C(N)=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.75
PTPN2 P17706 4/20 0.75
PTPN9 P43378 1/20 0.46
ALB P02768 1/20 0.41
ROCK2 O75116 1/20 0.40
PRKACA P17612 1/20 0.40
AKT3 Q9Y243 1/20 0.40
NPY4R P50391 7/20 0.39
NPY1R P25929 4/20 0.39
NPY2R P49146 4/20 0.39
NPY5R Q15761 4/20 0.39
KISS1R Q969F8 1/20 0.38
GRIA1 P42261 1/20 0.38
SIRT5 Q9NXA8 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
SCHEMBL1687880 0.97 PTPN1 (0.78) PTPN1PTPN2PTPN9ROCK2NPY4R
SCHEMBL10237424 0.93 PTPN1 (0.65) PTPN1PTPN2PTPN9ALBNPY4R
SCHEMBL10235361 0.91 PTPN1 (0.61) PTPN1PTPN2PTPN9ALBNPY4R
SCHEMBL7881120 0.86 PTPN1 (0.62) PTPN1PTPN2PTPN9
SCHEMBL7883486 0.86 PTPN1 (0.62) PTPN1PTPN2PTPN9ROCK2NPY4R
SCHEMBL7886025 0.83 PTPN1 (0.69) PTPN1PTPN2PTPN9
SCHEMBL7874752 0.83 PTPN1 (0.59) PTPN1PTPN2PTPN9
SCHEMBL1687796 0.81 PTPN1 (0.85) PTPN1PTPN2PTPN9ROCK2NPY4R
SCHEMBL7881108 0.81 PTPN1 (0.85) PTPN1PTPN2PTPN9ROCK2NPY4R
SCHEMBL10237734 0.79 PTPN1 (0.51) PTPN1PTPN2PTPN9

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 26/4885PTPN9 34/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS PTPN1 20/4885PTPN2 26/4885PTPN9 34/4885

“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.