SCHEMBL4409970

SCHEMBL4409970

NCCCS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.52
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HSD11B1 P28845 1/20 0.48
MMP3 P08254 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
MMP1 P03956 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL17266530 0.94 KEAP1 (0.54) PSIP1KEAP1NFE2L2HDAC1HDAC8
Hydrochloric Acid SCHEMBL17261315 0.92 KEAP1 (0.53) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL20329721 0.92 HDAC1 (0.56) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL1540593 0.86 PSIP1 (0.56) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL576918 0.86 KEAP1 (0.63) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL10629823 0.86 PSIP1 (0.61) PSIP1KEAP1NFE2L2HDAC1HDAC8
Hydrochloric Acid SCHEMBL1977191 0.84 PSIP1 (0.54) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL10626503 0.84 HDAC1 (0.65) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL1546083 0.83 PSIP1 (0.52) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL777601 0.81 PSIP1 (0.67) PSIP1KEAP1NFE2L2HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037358-B2 Compositions comprising reversibly modified oligonucleotides and uses thereof DICERNA PHARMACEUTICALS, INC. (US) 2024-07-16 US disclosed
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed
WO-2023202625-A1 FGFR2 INHIBITOR AND METHOD FOR USING SAME 深圳福沃药业有限公司 2023-10-26 WO disclosed
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2022-12-27 US disclosed
CN-111393385-B Synthetic method of benzothiazine formaldehyde derivative 华南理工大学 2022-01-18 CN disclosed
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-08-05 US disclosed
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-10-20 US disclosed
CN-111393385-A Synthetic method of benzothiazine formaldehyde derivative 华南理工大学 2020-07-10 CN disclosed
US-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2020-06-04 US disclosed
US-10399976-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2019-09-03 US disclosed
EP-1625122-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2006-02-15 EP disclosed
US-20040254226-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-16 US disclosed
WO-2004103993-A1 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-12-02 WO disclosed
WO-2004103993-A1 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-12-02 WO disclosed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP disclosed
US-4724235-A N-(arylthioalkyl)-N'-(aminoalkyl)ureas useful in the treatment of arrhythmia A. H. ROBINS COMPANY, INCORPORATED (US) 1988-02-09 US disclosed
US-4597902-A TREATMENT OF CARDIAC ARRHYTHMIAS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-07-01 US disclosed
EP-0066415-B1 N-(ARYLTHIOALKYL)-N'-(AMINOALKYL)UREAS A.H. ROBINS COMPANY, INCORPORATED (US) 1985-10-02 EP disclosed
EP-0066415-A2 N-(arylthioalkyl)-N'-(aminoalkyl)ureas A.H. ROBINS COMPANY, INCORPORATED (US) 1982-12-08 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 (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-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA PSIP1 2094/4885KEAP1 1021/4885NFE2L2 1011/4885
US-10399976-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA PSIP1 1863/4885KEAP1 1224/4885NFE2L2 1232/4885
US-20040254226-A1 Dipeptidyl peptidase inhibitors DPP3, DPP4, DPP7 PSIP1 510/4885KEAP1 3144/4885NFE2L2 4854/4885
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA PSIP1 2094/4885KEAP1 1021/4885NFE2L2 1011/4885
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA PSIP1 2094/4885KEAP1 1021/4885NFE2L2 1011/4885
US-12037358-B2 Compositions comprising reversibly modified oligonucleotides and uses thereof GSS, GSR, RNMT PSIP1 2092/4885KEAP1 320/4885NFE2L2 1048/4885
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA PSIP1 2094/4885KEAP1 1021/4885NFE2L2 1011/4885

“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.