SCHEMBL3606312

SCHEMBL3606312

CC(C)(C)OC(=O)C(Cc1ccc(OS(N)(=O)=O)cc1)c1ncc(-c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.52
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
STS P08842 5/20 0.38
BCL2 P10415 1/20 0.38
CA12 O43570 4/20 0.37
USP30 Q70CQ3 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
PTPN1 P18031 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL3606311 1.00 PTPRB (0.52) PTPRBCA1CA2CA9STS
SCHEMBL3925467 0.87 PTPRB (0.46) PTPRBSTSUSP30ITGA4ITGB7
SCHEMBL28777740 0.85 PTPRB (0.52) PTPRBCA2CA9BCL2USP30
SCHEMBL468331 0.84 PTPRB (0.73) PTPRBBCL2MAPT
SCHEMBL468330 0.84 PTPRB (0.73) PTPRBBCL2MAPT
SCHEMBL3606317 0.83 PTPRB (0.74) PTPRBPTPN1
SCHEMBL3606316 0.83 PTPRB (0.74) PTPRBPTPN1
SCHEMBL28781843 0.80 PKM (0.50) CA2MAPT
SCHEMBL468290 0.76 PTPRB (0.50) PTPRBCA1CA2CA9STS
SCHEMBL468292 0.76 PTPRB (0.50) PTPRBCA1CA2CA9STS

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130324558-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS INC. (US) 2013-12-05 US claimed
US-20130096140-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS INC. (US) 2013-04-18 US claimed
US-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2010-01-21 US claimed
CN-101506183-A Human protein tyrosine phosphatase inhibitors and methods of use thereof PROCTER & GAMBLE (US) 2009-08-12 CN claimed
US-20080108631-A1 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis THE PROCTER & GAMBLE COMPANY (US) 2008-05-08 US claimed
EP-3323815-B1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS LLC (US) 2020-10-07 EP disclosed
EP-3323815-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE Aerpio Therapeutics, Inc. (US) 2018-05-23 EP disclosed
EP-2592072-B1 Human protein tyrosine phosphatase inhibitors and their use AERPIO THERAPEUTICS INC (US) 2017-09-20 EP disclosed
EP-2592072-A2 Human protein tyrosine phosphatase inhibitors and their use Warner Chilcott Company, LLC (PR) 2013-05-15 EP disclosed
CN-101506183-B human protein tyrosine phosphatase inhibitors and methods of use thereof PROCTER & GAMBLE 2012-08-08 CN disclosed
CN-101506183-A Human protein tyrosine phosphatase inhibitors and methods of use thereof PROCTER & GAMBLE (US) 2009-08-12 CN disclosed
EP-2041102-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter & Gamble Company (US) 2009-04-01 EP disclosed
US-20080108631-A1 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis THE PROCTER & GAMBLE COMPANY (US) 2008-05-08 US disclosed
WO-2008002569-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 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 (4 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-20130096140-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C PTPRB 47/4885CA1 3720/4885CA2 2212/4885
US-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C PTPRB 47/4885CA1 3720/4885CA2 2212/4885
US-20080108631-A1 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis VASP, DUSP15, PPP5C PTPRB 63/4885CA1 2743/4885CA2 910/4885
US-20130324558-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C PTPRB 47/4885CA1 3720/4885CA2 2212/4885

“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.