Sugi Predict

Sugi Predict / Compounds / SCHEMBL874787

SCHEMBL874787

SCHEMBL874787

CS(=O)(=O)OCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ KCNH2 Q12809 7/20 0.51
▸ KCNJ1 P48048 3/20 0.51
▸ CYP19A1 P11511 2/20 0.46
▸ IDO1 P14902 2/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA4 P22748 1/20 0.44

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
Alcohol SCHEMBL11364447 0.94 TSHR (0.54) TSHRKCNH2KCNJ1CYP19A1IDO1
SCHEMBL28771941 0.91 KCNH2 (0.58) KCNH2CA1CA2CA12
SCHEMBL5391363 0.89 KCNH2 (0.49) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL15807622 0.88 KCNH2 (0.50) TSHRKCNH2KCNJ1CYP19A1
SCHEMBL3258334 0.84 CA2 (0.50) TSHRKCNH2CA1CA2CA12
SCHEMBL693396 0.83 TSHR (0.51) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL1827937 0.83 IDO1 (0.58) TSHRKCNH2KCNJ1CYP19A1IDO1
SCHEMBL3248064 0.82 TSHR (0.54) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL1027225 0.81 TSHR (0.51) TSHRCYP19A1
SCHEMBL6291707 0.81 CYP19A1 (0.43) TSHRCYP19A1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 — — US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 — — US disclosed
EP-4066896-A1 G9A INHIBITOR RIKEN (JP) 2022-10-05 — — EP disclosed
CN-109384790-B Fibroblast growth factor receptor inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-05-10 — — CN disclosed
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 — — CN disclosed
US-10253029-B2 Dual-warhead covalent inhibitors of FGFR-4 NEWAVE PHARMACEUTICAL INC. (US) 2019-04-09 — — US disclosed
CN-109384790-A Fibroblast growth factor acceptor inhibitor and application thereof 南京药捷安康生物科技有限公司 2019-02-26 — — CN disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 — — US disclosed
US-20170305918-A1 DUAL-WARHEAD COVALENT INHIBITORS OF FGFR-4 NEWAVE PHARMACEUTICAL INC. 2017-10-26 — — US disclosed
US-20170305918-A1 DUAL-WARHEAD COVALENT INHIBITORS OF FGFR-4 NEWAVE PHARMACEUTICAL INC. 2017-10-26 — — US disclosed
US-20130197217-A1 1, 2, 4-TRIAZOLONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-08-01 — — US disclosed
US-20130197217-A1 1, 2, 4-TRIAZOLONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-08-01 — — US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 — — EP disclosed
CN-103119028-A 1,2,4-Triazolone Derivative TAISHO PHARMACEUTICAL CO LTD 2013-05-22 — — CN disclosed
US-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 — — US disclosed
US-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 — — US disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 — — WO disclosed
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 — — US disclosed
US-4294986-A Novel para-phenylalkoxy phenylurea and thiourea compounds and herbicidal use thereof AMERICAN CYANAMID CO. (US) 1981-10-13 — — US disclosed
US-4289903-A PREEMERGENCE AND POSTEMERGENCE AMERICAN CYANAMID COMPANY (US) 1981-09-15 — — 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 (7 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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 TSHR 2393/4885KCNH2 3803/4885KCNJ1 4460/4885
US-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L TSHR 4426/4885KCNH2 1674/4885KCNJ1 1456/4885
US-20130197217-A1 1, 2, 4-TRIAZOLONE DERIVATIVE AVPR1B, AVPR1A, AVPR2 TSHR 107/4885KCNH2 2813/4885KCNJ1 2083/4885
US-20170305918-A1 DUAL-WARHEAD COVALENT INHIBITORS OF FGFR-4 FGFR4, FGFR2, FGFR3 TSHR 1545/4885KCNH2 3671/4885KCNJ1 3997/4885
US-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 TSHR 3513/4885KCNH2 3837/4885KCNJ1 3383/4885
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 TSHR 3525/4885KCNH2 3821/4885KCNJ1 3339/4885
US-10253029-B2 Dual-warhead covalent inhibitors of FGFR-4 FGFR4, FGFR2, FGFR3 TSHR 1545/4885KCNH2 3671/4885KCNJ1 3997/4885

“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.