Sugi Predict

Sugi Predict / Compounds / SCHEMBL2284909

SCHEMBL2284909

SCHEMBL2284909

CS(=O)(=O)Nc1cccc(CN)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.64
▸ NR3C1 P04150 1/20 0.55
▸ KEAP1 Q14145 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ KIF11 P52732 1/20 0.45

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
Hydrochloric Acid SCHEMBL2554758 0.98 HTR6 (0.62) HTR6NR3C1KEAP1ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2480625 0.87 HTR6 (0.55) HTR6NR3C1KEAP1ALDH1A1SMN1; SMN2
SCHEMBL4370201 0.86 HTR6 (0.66) HTR6NR3C1KEAP1ALDH1A1SMN1; SMN2
SCHEMBL7902370 0.84 PTGS1 (0.59) NR3C1KEAP1ALDH1A1SMN1; SMN2POLB
SCHEMBL5262193 0.84 NR3C1 (0.56) HTR6NR3C1KEAP1ALDH1A1SMN1; SMN2
SCHEMBL4599255 0.84 HTR6 (0.66) HTR6
SCHEMBL3560306 0.82 IKBKB (0.58) NR3C1KEAP1ALDH1A1SMN1; SMN2POLB
SCHEMBL14345545 0.82 NR3C1 (0.55) HTR6NR3C1KEAP1ALDH1A1SMN1; SMN2
SCHEMBL30240812 0.82 NR3C1 (0.59) HTR6NR3C1KEAP1ALDH1A1SMN1; SMN2
SCHEMBL29203533 0.82 NR3C1 (0.59) HTR6NR3C1KEAP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 — — EP claimed
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 — — US disclosed
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 — — WO disclosed
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 — — EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 — — EP disclosed
CN-111793068-A Heteroaryl compounds and uses thereof 西建卡尔有限责任公司 2020-10-20 — — CN disclosed
US-10774052-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2020-09-15 — — US disclosed
CN-105307657-B Heteroaryl compounds and uses thereof 西建卡尔有限责任公司 2020-07-10 — — CN disclosed
CN-107428720-B Substituted aminotriazoles as inhibitors of acid mammalian chitinase 昂科艾伦迪治疗法股份公司 2020-06-30 — — CN disclosed
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 — — US disclosed
WO-2003032986-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 — — WO disclosed
WO-2003032970-A1 5'-CARBAMOYL-2'-METHYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 — — WO disclosed
US-6545023-B2 For treating rheumatoid arthritis; for examle, 1-(4-(4-fluorophenyl)piperidin-1-yl),3-(2-methoxy-4 -chlorobenzylaminocarbonyl),3-isopropyl-cyclopentane MERCK & CO., INC. 2003-04-08 — — US disclosed
US-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-04-25 — — US disclosed
WO-2002013824-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-02-21 — — WO disclosed
US-5326760-A Aminobutanoic acid compounds having metalloprotease inhibiting properties GLAXO, INC. (US) 1994-07-05 — — US disclosed
WO-1994000119-A1 AMINOBUTANOIC ACID COMPOUNDS HAVING METALLOPROTEASE INHIBITING PROPERTIES GLAXO INC. (US) 1994-01-06 — — WO disclosed
EP-0237678-B1 TRYPTAMINE DERIVATIVES, THEIR SYNTHESIS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS GLAXO GROUP LIMITED (GB) 1991-04-03 — — EP disclosed
US-4870096-A MIGRAINE GLAXO GROUP LIMITED (GB) 1989-09-26 — — US disclosed
EP-0237678-A1 Tryptamine derivatives, their synthesis and their use in pharmaceutical compositions GLAXO GROUP LIMITED (GB) 1987-09-23 — — 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 (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-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity CCR1, CCRL2, CCR5 HTR6 606/4885NR3C1 141/4885KEAP1 1508/4885
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HTR6 485/4885NR3C1 2282/4885KEAP1 1434/4885
US-10774052-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 HTR6 485/4885NR3C1 2282/4885KEAP1 1434/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK HTR6 2342/4885NR3C1 4454/4885KEAP1 2173/4885

“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.