SCHEMBL3228869

SCHEMBL3228869

COC(=O)COC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
GAA P10253 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TET2 Q6N021 1/20 0.39
RECQL P46063 1/20 0.38
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA2 P00918 1/20 0.37
DGAT1 O75907 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL5316584 0.83 GAA (0.42) TSHRGAAHSD17B10MGAMSI
SCHEMBL7682664 0.81 ALDH1A1 (0.38) HSD17B10MAPK1
SCHEMBL10719396 0.80 TSHR (0.42) TSHRGAAHSD17B10MGAMSI
SCHEMBL5547017 0.79 DGAT1 (0.36) GAAHSD17B10CA12CA14CA2
SCHEMBL19821812 0.78 TSHR (0.40) TSHRGAAHSD17B10MGAMSI
SCHEMBL6384724 0.77 MAPK1 (0.32) HSD17B10MAPK1
SCHEMBL5503088 0.77 USP2 (0.34) TSHRHSD17B10MAPK1
SCHEMBL13330530 0.77 TSHR (0.39) TSHRGAAHSD17B10MGAMSI
SCHEMBL2075717 0.75 TSHR (0.55) TSHRGAAHSD17B10MGAMSI
SCHEMBL5607319 0.75 GAA (0.50) TSHRGAAHSD17B10MGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105492075-B Inhibitors of viral replication, their preparation method and their therapeutical uses HIVIH公司 2019-11-12 CN disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
CN-108026113-A IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV保健英国第五有限公司 2018-05-11 CN disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
CN-107001357-A Imidazo [1,2 a] pyridine derivate as human immunodeficiency virus replication inhibitor VIIV保健英国第五有限公司 2017-08-01 CN disclosed
CN-104583214-B The inhibitor of human immunodeficiency virus replication 百时美施贵宝公司 2017-06-09 CN disclosed
CN-105189510-B Inhibitors of human immunodeficiency virus replication 百时美施贵宝公司 2017-05-17 CN disclosed
CN-106536513-A Isoindolinone derivatives useful as antiviral agents VIIV保健英国有限公司 2017-03-22 CN disclosed
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-31 US disclosed
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-24 US disclosed
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-24 US disclosed
US-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20070203081-A1 AMINOGLYCOSIDES AS ANTIBIOTICS WAYNE STATE UNIVERSITY 2007-08-30 US disclosed
US-20070191363-A1 Heteroalkyl-substituted biphenyl-4-carboxylic acid arylamide analogues NEUROGEN CORPORATION (US) 2007-08-16 US disclosed
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-7220727-B2 For therapy of bacterial infection in a mammal WAYNE STATE UNIVERSITY (US) 2007-05-22 US disclosed
EP-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 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 (9 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-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA TSHR 4297/4885GAA 1675/4885HSD17B10 4007/4885
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 TSHR 396/4885GAA 1584/4885HSD17B10 508/4885
US-20070191363-A1 Heteroalkyl-substituted biphenyl-4-carboxylic acid arylamide analogues AHR, HCAR2, HCAR1 TSHR 162/4885GAA 692/4885HSD17B10 964/4885
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA TSHR 4297/4885GAA 1675/4885HSD17B10 4007/4885
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA TSHR 4297/4885GAA 1675/4885HSD17B10 4007/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A TSHR 504/4885GAA 1660/4885HSD17B10 417/4885
US-20070203081-A1 AMINOGLYCOSIDES AS ANTIBIOTICS PIGS, ALG8, NPEPPS TSHR 4032/4885GAA 9/4885HSD17B10 2795/4885
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR TSHR 2253/4885GAA 788/4885HSD17B10 91/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 TSHR 396/4885GAA 1584/4885HSD17B10 508/4885

“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.