SCHEMBL1687865

SCHEMBL1687865

CCc1ccc(C(=O)NCCCCC(NC(=O)C(Cc2ccc(C(F)(F)O[PH](=O)O)cc2)NC(=O)C(N)Cc2ccccc2)C(=O)NC(C)C(=O)NC(CCCCNC(=O)c2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTRA2 O43464 8/20 0.53
HTRA1 Q92743 8/20 0.53
WDR5 P61964 1/20 0.47
ALB P02768 2/20 0.46
PTPN2 P17706 3/20 0.46
PTPN1 P18031 3/20 0.46
FOLH1 Q04609 1/20 0.43

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
SCHEMBL10237426 0.98 HTRA2 (0.49) HTRA2HTRA1WDR5ALBPTPN2
SCHEMBL1687874 0.91 HTRA2 (0.55) HTRA2HTRA1WDR5ALBPTPN2
SCHEMBL10236970 0.91 HTRA2 (0.49) HTRA2HTRA1WDR5ALBPTPN2
SCHEMBL10237427 0.91 HTRA2 (0.49) HTRA2HTRA1WDR5ALBPTPN2
SCHEMBL1687875 0.88 HTRA2 (0.48) HTRA2HTRA1WDR5ALBPTPN2
SCHEMBL1628325 0.76 HTRA2 (0.46) HTRA2HTRA1WDR5ALBPTPN2
SCHEMBL21766754 0.75 HTRA2 (0.60) HTRA2HTRA1WDR5ALBFOLH1
SCHEMBL1687880 0.75 PTPN1 (0.78) PTPN2PTPN1FOLH1
SCHEMBL15470509 0.75 WDR5 (0.62) HTRA2HTRA1WDR5ALBFOLH1
SCHEMBL21766492 0.74 HTRA2 (0.56) HTRA2HTRA1WDR5ALB

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 HTRA2 3665/4885HTRA1 3147/4885WDR5 2788/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS HTRA2 3665/4885HTRA1 3147/4885WDR5 2788/4885

“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.