SCHEMBL3583770

SCHEMBL3583770

CC1(C)OC(=O)C(=CNc2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.69
TSHR P16473 1/20 0.68
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HSD17B10 Q99714 3/20 0.52
MAPK1 P28482 2/20 0.52
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.40

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
SCHEMBL20301402 0.84 ALDH1A1 (0.66) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL15555582 0.82 ALDH1A1 (0.75) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL12786989 0.82 ALDH1A1 (0.75) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL3583405 0.82 ALDH1A1 (1.00) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL5739160 0.81 ALDH1A1 (1.00) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL601203 0.81 ALDH1A1 (0.73) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL14075911 0.79 ALDH1A1 (0.71) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL27006923 0.79 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL3059418 0.78 ALDH1A1 (0.72) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL27460358 0.78 ALDH1A1 (0.63) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250127906-A1 SMALL-MOLECULE DEGRADERS OF CDK8 AND CDK19 UNIVERSITY OF SOUTH CAROLINA 2025-04-24 US disclosed
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2025-04-22 US disclosed
CN-114989173-B Imidazole compound, pharmaceutical composition and application thereof 广州市恒诺康医药科技有限公司 2024-03-19 CN disclosed
WO-2023081452-A1 SMALL-MOLECULE DEGRADERS OF CDK8 AND CDK19 UNIVERSITY OF SOUTH CAROLINA (US) 2023-05-11 WO disclosed
CN-114989173-A Imidazole compound, pharmaceutical composition and application thereof 广州市恒诺康医药科技有限公司 2022-09-02 CN disclosed
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-09-09 US disclosed
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-09-09 US disclosed
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 US disclosed
WO-2015164374-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-10-29 WO disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
US-6911469-B2 Sulfonamide compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-28 US disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 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-20250127906-A1 SMALL-MOLECULE DEGRADERS OF CDK8 AND CDK19 CDK8, CDK9, CDK18 ALDH1A1 4593/4885TSHR 2426/4885CYP1A2 4043/4885
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 ALDH1A1 570/4885TSHR 587/4885CYP1A2 1473/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM ALDH1A1 1067/4885TSHR 1420/4885CYP1A2 979/4885
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 3351/4885TSHR 4389/4885CYP1A2 4381/4885
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 ALDH1A1 4568/4885TSHR 3431/4885CYP1A2 2938/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 ALDH1A1 4568/4885TSHR 3516/4885CYP1A2 2934/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS ALDH1A1 2504/4885TSHR 4018/4885CYP1A2 1262/4885

“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.