SCHEMBL295644

SCHEMBL295644

CN(C=O)Cc1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.48
HCAR3 P49019 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CASP6 P55212 1/20 0.39
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
CYP19A1 P11511 1/20 0.37
RXRA P19793 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL297962 0.86 SIRT6 (0.49) ALDH1A1TSHRKDM4EHTTSMN1; SMN2
SCHEMBL28127763 0.83 DTYMK (0.45) DTYMKHCAR3ALDH1A1TSHRKDM4E
SCHEMBL15895080 0.78 DTYMK (0.57) DTYMKHCAR3ALDH1A1TSHRCASP6
SCHEMBL10653362 0.78 DTYMK (0.57) DTYMKALDH1A1TSHRCASP6CYP19A1
SCHEMBL297623 0.77 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EGLACASP6
SCHEMBL6390864 0.76 DTYMK (0.58) DTYMKALDH1A1TSHRCASP6CYP19A1
SCHEMBL7497984 0.76 DTYMK (0.51) DTYMKHCAR3ALDH1A1TSHRKDM4E
SCHEMBL12125635 0.76 PDGFRB (0.47) ALDH1A1HTTSMN1; SMN2
SCHEMBL12125717 0.76 DTYMK (0.43) DTYMKHCAR3ALDH1A1TSHRKDM4E
SCHEMBL295501 0.76 DTYMK (0.43) DTYMKHCAR3ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053723-B Sulfonamide derivatives and pharmaceutical use thereof EA制药株式会社 2021-09-03 CN disclosed
EP-3064491-B1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF EA PHARMA CO LTD (JP) 2020-01-08 EP disclosed
US-9822110-B2 Sulfonamide derivative and pharmaceutical use thereof EA PHARMA CO., LTD. (JP) 2017-11-21 US disclosed
US-9822110-B2 Sulfonamide derivative and pharmaceutical use thereof EA PHARMA CO., LTD. (JP) 2017-11-21 US disclosed
US-9822110-B2 Sulfonamide derivative and pharmaceutical use thereof EA PHARMA CO., LTD. (JP) 2017-11-21 US disclosed
EP-3064491-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF EA Pharma Co., Ltd. (JP) 2016-09-07 EP disclosed
US-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2016-08-25 US disclosed
US-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2016-08-25 US disclosed
US-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2016-08-25 US disclosed
US-8546610-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of the derivatives AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-20110313154-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-12-22 US disclosed
US-20110313154-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-12-22 US disclosed
US-20110313154-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-12-22 US disclosed
US-8058432-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of derivatives AJINOMOTO CO., INC. (JP) 2011-11-15 US disclosed
US-8058432-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of derivatives AJINOMOTO CO., INC. (JP) 2011-11-15 US disclosed
US-8058432-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of derivatives AJINOMOTO CO., INC. (JP) 2011-11-15 US disclosed
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES AJINOMOTO CO., INC. (JP) 2009-12-24 US disclosed
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES AJINOMOTO CO., INC. (JP) 2009-12-24 US disclosed
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES AJINOMOTO CO., INC. (JP) 2009-12-24 US disclosed
EP-2103601-A1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION Ajinomoto Co., Inc. (JP) 2009-09-23 EP 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 (3 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-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF ITGA1, ITGB7, ITGB4 DTYMK 4100/4885HCAR3 2269/4885ALDH1A1 273/4885
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES PAH, DDC, AADAT DTYMK 1464/4885HCAR3 1295/4885ALDH1A1 985/4885
US-20110313154-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES PAH, DDC, ASNS DTYMK 1551/4885HCAR3 1244/4885ALDH1A1 1454/4885

“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.