SCHEMBL683494

SCHEMBL683494

N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 3/20 0.38
DPP7 Q9UHL4 3/20 0.38
IDO1 P14902 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
EPHX1 P07099 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
PTPRB P23467 1/20 0.37
RAD52 P43351 2/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FAP Q12884 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL17429753 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2DPP4DPP7IDO1
Bromide SCHEMBL468370 0.99 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2DPP4DPP7IDO1
Bromide SCHEMBL17419382 0.99 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2DPP4DPP7IDO1
Bromide SCHEMBL21485485 0.99 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2DPP4DPP7IDO1
Bromide SCHEMBL28828062 0.99 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2DPP4DPP7IDO1
SCHEMBL8556382 0.83 PTPRB (0.41) ALDH1A1SMN1; SMN2IDO1PTPRBMAPT
SCHEMBL500399 0.81 PTPRB (0.44) ALDH1A1SMN1; SMN2DPP4DPP7DPP8
SCHEMBL468264 0.81 PTPRB (0.44) ALDH1A1SMN1; SMN2DPP4DPP7DPP8
SCHEMBL468265 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2DPP4DPP7DPP8
SCHEMBL27751526 0.79 EPHX1 (0.38) ALDH1A1SMN1; SMN2DPP4DPP7IDO1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440963-B2 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
US-20160220541-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2016-08-04 US disclosed
US-20160220540-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2016-08-04 US disclosed
US-9174950-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9174950-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9096555-B2 Methods for treating vascular leak syndrome AERPIO THERAPEUTICS, INC. (US) 2015-08-04 US disclosed
US-20150050277-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2015-02-19 US disclosed
US-20140378445-A9 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2014-12-25 US disclosed
US-8883832-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS INC. (US) 2014-11-11 US disclosed
US-20140288134-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-25 US disclosed
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2012-05-24 US disclosed
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE EyePoint Pharmaceuticals, Inc. 2012-03-29 US disclosed
US-8106078-B2 Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT COMPANY, LLC (US) 2012-01-31 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 US disclosed
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed
WO-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 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 (10 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-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 ALDH1A1 3159/4885SMN1; SMN2 4549/4885DPP4 352/4885
US-20160220541-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR ALDH1A1 3657/4885SMN1; SMN2 3732/4885DPP4 716/4885
US-20140288134-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 ALDH1A1 3159/4885SMN1; SMN2 4549/4885DPP4 352/4885
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE PTPRCAP, PPP5C, PTPRO ALDH1A1 4348/4885SMN1; SMN2 4655/4885DPP4 745/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C ALDH1A1 4349/4885SMN1; SMN2 4569/4885DPP4 733/4885
US-20140378445-A9 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, EPCAM ALDH1A1 1427/4885SMN1; SMN2 1811/4885DPP4 2033/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 ALDH1A1 1389/4885SMN1; SMN2 2103/4885DPP4 1885/4885
US-20160220540-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR ALDH1A1 3657/4885SMN1; SMN2 3732/4885DPP4 716/4885
US-20150050277-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 ALDH1A1 3546/4885SMN1; SMN2 4723/4885DPP4 592/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C ALDH1A1 4349/4885SMN1; SMN2 4569/4885DPP4 733/4885

“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.