SCHEMBL5543322

SCHEMBL5543322

CC[C@H]1CC[C@H](C(=O)OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
POLB P06746 1/20 0.40
ADORA1 P30542 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38

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
SCHEMBL15200264 1.00 GAA (0.47) GAATP53ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL358775 1.00 GAA (0.47) GAATP53ALDH1A1SMN1; SMN2CHRNB2
Hydrochloric Acid SCHEMBL27282102 0.98 GAA (0.46) GAATP53ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL4544933 0.94 TP53 (0.46) GAATP53ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL6238118 0.92 PLG (0.48) GAATP53ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL12055465 0.87 CHRNB2 (0.42) GAATP53ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL14296565 0.87 CHRNB2 (0.42) GAATP53ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL5888214 0.87 CHRNB2 (0.42) GAATP53ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL14305169 0.86 TP53 (0.46) GAATP53ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL17118123 0.86 TP53 (0.46) GAATP53ALDH1A1SMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018162-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. 2024-01-18 US disclosed
US-20240018162-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. 2024-01-18 US disclosed
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
US-10202331-B2 Antifibrinolytic compounds THROMBOLYTICS LLC (US) 2019-02-12 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2018-06-14 US disclosed
US-20170334834-A1 ANTIFIBRINOLYTIC COMPOUNDS THROMBOLYTICS, LLC (US) 2017-11-23 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
EP-2385053-A2 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI Pharmaceuticals, Inc. (US) 2011-11-09 EP disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-01-31 US disclosed
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-01-31 US disclosed
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-10 US disclosed
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-10 US disclosed
EP-1406872-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2007-12-19 EP disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
EP-1533292-B1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC (JP) 2007-02-14 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 (14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 GAA 2747/4885TP53 220/4885ALDH1A1 944/4885
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE PDE4A, ADORA2A, PDE4B GAA 588/4885TP53 4635/4885ALDH1A1 310/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 GAA 352/4885TP53 3627/4885ALDH1A1 1806/4885
US-10202331-B2 Antifibrinolytic compounds F2, FGB, SERPINC1 GAA 2471/4885TP53 2911/4885ALDH1A1 3804/4885
US-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 GAA 474/4885TP53 4849/4885ALDH1A1 4081/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 GAA 4580/4885TP53 4133/4885ALDH1A1 4132/4885
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS ADORA2A, ADORA2B, PDE4A GAA 877/4885TP53 1624/4885ALDH1A1 149/4885
US-20170334834-A1 ANTIFIBRINOLYTIC COMPOUNDS F2, SERPINC1, F12 GAA 1446/4885TP53 4854/4885ALDH1A1 930/4885
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL GAA 1238/4885TP53 513/4885ALDH1A1 1615/4885
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES MLLT1, BMI1, MEN1 GAA 4129/4885TP53 107/4885ALDH1A1 2922/4885
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF FCGR3B, SI, INCENP GAA 465/4885TP53 672/4885ALDH1A1 567/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 GAA 2071/4885TP53 1398/4885ALDH1A1 1584/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GAA 352/4885TP53 3627/4885ALDH1A1 1806/4885
US-20240018162-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF TTK, HIPK1, CLK1 GAA 1648/4885TP53 219/4885ALDH1A1 3226/4885

“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.