Sugi Predict

Sugi Predict / Compounds / SCHEMBL291237

SCHEMBL291237

SCHEMBL291237

O=[N+]([O-])c1ccc(CCS(=O)(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.61
▸ KCNJ1 P48048 3/20 0.50
▸ KCNH2 Q12809 2/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ CA1 P00915 5/20 0.48
▸ CA2 P00918 5/20 0.48
▸ CA12 O43570 3/20 0.48
▸ CA4 P22748 2/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.47
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ IDO1 P14902 2/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ CA3 P07451 1/20 0.46

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
SCHEMBL7398501 0.86 TSHR (0.54) TSHRKCNJ1KCNH2LOXL2ALDH1A1
SCHEMBL4458689 0.85 ALDH1A1 (0.52) TSHRKCNJ1KCNH2LOXL2ALDH1A1
SCHEMBL28531315 0.85 TSHR (0.60) TSHRKCNJ1KCNH2LOXL2ALDH1A1
SCHEMBL9259965 0.81 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2ALDH1A1
SCHEMBL2233530 0.81 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2ALDH1A1
SCHEMBL4930091 0.81 TSHR (0.61) TSHRKCNJ1KCNH2LOXL2ALDH1A1
SCHEMBL8898338 0.81 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL31540565 0.81 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2ALDH1A1
SCHEMBL294285 0.81 LOXL2 (0.59) TSHRLOXL2ALDH1A1CYP2C19CA1
SCHEMBL9177939 0.81 TSHR (0.66) TSHRKCNJ1KCNH2LOXL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522915-B2 Method for preparing an important intermediate of linagliptin 2Y-CHEM, LTD. (CN) 2016-12-20 — — US claimed
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 — — EP claimed
US-20150274728-A1 METHOD FOR PREPARING AN IMPORTANT INTERMEDIATE OF LINAGLIPTIN 2Y-CHEM, LTD. (CN) 2015-10-01 — — US claimed
US-8829208-B2 Process for the preparation of darunavir and darunavir intermediates MAPI PHARMA LTD. (IL) 2014-09-09 — — US claimed
EP-2528923-B1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA LTD (IL) 2014-07-30 — — EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 — — EP claimed
EP-2528923-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES Mapi Pharma Limited (IL) 2012-12-05 — — EP claimed
US-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA LIMITED (IL) 2012-11-22 — — US claimed
CN-102725295-A Process for the preparation of darunavir and darunavir intermediates MAPI PHARMA HK LTD 2012-10-10 — — CN claimed
WO-2011092687-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA HK LIMITED (CN) 2011-08-04 — — WO claimed
US-20250327050-A1 ZINC FINGER CCCH-TYPE CONTAINING 14 (ZC3H14) MUTANTS AND METHODS OF USE THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2025-10-23 — — US disclosed
US-20250134889-A1 TARGETING IRE1 KINASE AND FMRP FOR PROPHYLAXIS, MANAGEMENT AND TREATMENT OF ATHEROSCLEROSIS CEDARS-SINAI MEDICAL CENTER (US) 2025-05-01 — — US disclosed
CN-118388347-A Compound, borate derivative formed from compound and preparation method of borate derivative 梅琳塔治疗公司 2024-07-26 — — CN disclosed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 — — US disclosed
EP-4373845-A2 ZINC FINGER CCCH-TYPE CONTAINING 14 (ZC3H14) MUTANTS AND METHODS OF USE The Children's Medical Center Corporation (US) 2024-05-29 — — EP disclosed
WO-2003010155-A1 METHOD FOR PRODUCING NOVEL SPINOSYN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-02-06 — — WO disclosed
EP-0880075-B1 Radiation sensitive resin composition JSR CORP (JP) 2001-10-17 — — EP disclosed
US-5958648-A Radiation sensitive resin composition JSR CORPORATION (JP) 1999-09-28 — — US disclosed
EP-0880075-A1 Radiation sensitive resin composition JSR Corporation (JP) 1998-11-25 — — EP disclosed
WO-1997021666-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 — — 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-20250134889-A1 TARGETING IRE1 KINASE AND FMRP FOR PROPHYLAXIS, MANAGEMENT AND TREATMENT OF ATHEROSCLEROSIS XBP1, ERN1, RBM3 TSHR 2745/4885KCNJ1 3929/4885KCNH2 4740/4885
US-20150274728-A1 METHOD FOR PREPARING AN IMPORTANT INTERMEDIATE OF LINAGLIPTIN DPP4, DPP9, DPP3 TSHR 3222/4885KCNJ1 1928/4885KCNH2 3013/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 TSHR 2507/4885KCNJ1 861/4885KCNH2 1393/4885
US-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES CYP3A43, CYP3A4, DHPS TSHR 4101/4885KCNJ1 3329/4885KCNH2 3885/4885

“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.