SCHEMBL628857

SCHEMBL628857

CC(C)(C)c1ccc(OCC(=O)Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.71
MEN1 O00255 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
MAOB P27338 1/20 0.51
AOC3 Q16853 1/20 0.51
NR4A2 P43354 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
POLB P06746 2/20 0.51
CYP2C19 P33261 2/20 0.51
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
TRPV1 Q8NER1 2/20 0.50
HCAR2 Q8TDS4 1/20 0.50
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL6584468 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MEN1RAB9AKMT2APOLB
SCHEMBL8017456 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMAOBPOLBTDP1
SCHEMBL2117441 0.84 ALOX15 (0.50) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL1283871 0.83 SMN1; SMN2 (1.00) SMN1; SMN2MEN1RAB9AKMT2ANR4A2
SCHEMBL8219820 0.83 SMN1; SMN2 (0.73) SMN1; SMN2MEN1RAB9AKMT2AMAOB
SCHEMBL9220908 0.83 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ACYP3A4HIF1A
SCHEMBL6153890 0.81 SMN1; SMN2 (0.71) SMN1; SMN2MEN1RAB9AKMT2AMAOB
SCHEMBL733369 0.81 SMN1; SMN2 (0.71) SMN1; SMN2MEN1RAB9AKMT2AMAOB
SCHEMBL12622683 0.81 SMN1; SMN2 (0.71) SMN1; SMN2MEN1RAB9AKMT2AMAOB
Hydrochloric Acid SCHEMBL4640626 0.81 SMN1; SMN2 (0.96) SMN1; SMN2MEN1RAB9AKMT2ANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924393-A Monomer of 3' -mercapto nucleoside analogue and its synthesis process 天津兴博润生物制药有限公司 2024-04-26 CN claimed
US-20250134871-A1 UPR MODULATORS TO TREAT HEARING LOSS JACARANDA BIOSCIENCES, INC. 2025-05-01 US disclosed
CN-118206525-A Aromatic ring [ d ] thiazepine ketone compound and preparation method thereof 北京化工大学 2024-06-18 CN disclosed
CN-117924393-A Monomer of 3' -mercapto nucleoside analogue and its synthesis process 天津兴博润生物制药有限公司 2024-04-26 CN disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 US disclosed
WO-2023114451-A1 UPR MODULATORS TO TREAT HEARING LOSS JACARANDA BIOSCIENCES, INC. (US) 2023-06-22 WO disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 US disclosed
EP-3727401-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-10-28 EP disclosed
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA S.R.L. (IT) 2005-01-27 US disclosed
WO-2004071507-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-08-26 WO disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
CN-1486302-A Substituted 1,3, 5-triazines and pyrimidines as ABCA-1 potentiating compounds against coronary artery disease or arteriosclerosis CV���ƹ�˾ 2004-03-31 CN disclosed
EP-1341773-A2 SUBSTITUTED 1,3,5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-09-10 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
US-20020128266-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-09-12 US disclosed
WO-2002046172-A2 SUBSTITUTED 1, 3, 5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 WO disclosed
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US 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-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs PSMB3, PSME3, PSMD3 SMN1; SMN2 3198/4885MEN1 3763/4885RAB9A 3319/4885
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP SMN1; SMN2 2211/4885MEN1 4329/4885RAB9A 3814/4885
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 SMN1; SMN2 2942/4885MEN1 1913/4885RAB9A 643/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 SMN1; SMN2 1988/4885MEN1 1149/4885RAB9A 2105/4885
US-20020128266-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 SMN1; SMN2 4558/4885MEN1 4471/4885RAB9A 2138/4885
US-20250134871-A1 UPR MODULATORS TO TREAT HEARING LOSS ATF4, XBP1, ATF1 SMN1; SMN2 2721/4885MEN1 4567/4885RAB9A 3875/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 SMN1; SMN2 3101/4885MEN1 1971/4885RAB9A 689/4885

“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.