SCHEMBL438507

SCHEMBL438507

CC(C)CCN1CCS(=O)(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SORT1 Q99523 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
TP53 P04637 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL441490 0.88 GBA1 (0.38) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL13600648 0.86 MEN1 (0.36) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL24837312 0.83 SMN1; SMN2 (0.31) SMN1; SMN2SORT1ARG1ARG2
SCHEMBL4546631 0.81 RORC (0.37) KMT2AMEN1RAB9AARG1ARG2
SCHEMBL6057217 0.78 ALOX15 (0.38) SMN1; SMN2SORT1TP53
SCHEMBL20438382 0.78 ALOX15 (0.38) SMN1; SMN2SORT1TP53
SCHEMBL12000726 0.78
SCHEMBL7978773 0.78 KMT2A (0.33) KMT2AMEN1NPC1ALDH1A1CYP1A2
SCHEMBL24837313 0.77 KDM4E (0.32) ALDH1A1
SCHEMBL12531865 0.77 PIK3CD (0.47) KMT2AMEN1RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed
EP-3873607-B1 QUINAZOLINYL-INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-11-29 EP disclosed
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-26 US disclosed
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-26 US disclosed
US-20230250102-A1 DNA Polymerase IIIC Inhibitors and Use Thereof Acurx Pharmaceuticals, Inc. 2023-08-10 US disclosed
US-20230183168-A1 IONIZABLE LIPIDS AND COMPOSITIONS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-15 US disclosed
EP-3781574-B1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2023-05-10 EP disclosed
US-20220388980-A1 QUINOLINE INHIBITORS OF RAD52 AND METHODS OF USE UNIV DREXEL (US) 2022-12-08 US disclosed
WO-2022140169-A1 PREPARATION OF TETRAHYDROINDAZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-30 WO disclosed
US-20210403465-A1 QUINAZOLINYL-INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-30 US disclosed
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 US disclosed
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 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 (10 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-20230183168-A1 IONIZABLE LIPIDS AND COMPOSITIONS AND USES THEREOF SLC10A1, PYGL, FABP1 KMT2A 3813/4885MEN1 2690/4885RAB9A 2859/4885
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 KMT2A 1949/4885MEN1 3302/4885RAB9A 735/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 KMT2A 3328/4885MEN1 1279/4885RAB9A 820/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP KMT2A 2169/4885MEN1 1427/4885RAB9A 2485/4885
US-20220388980-A1 QUINOLINE INHIBITORS OF RAD52 AND METHODS OF USE RAD52, RECQL, RAD50 KMT2A 1607/4885MEN1 2566/4885RAB9A 2323/4885
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES HCK, BTK, LYN KMT2A 1545/4885MEN1 3571/4885RAB9A 2082/4885
US-20230250102-A1 DNA Polymerase IIIC Inhibitors and Use Thereof POLI, POLN, POLB KMT2A 2290/4885MEN1 4464/4885RAB9A 4572/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD KMT2A 4343/4885MEN1 4543/4885RAB9A 4182/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB KMT2A 4144/4885MEN1 4127/4885RAB9A 2388/4885
US-20210403465-A1 QUINAZOLINYL-INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, IRF3, MAVS KMT2A 3424/4885MEN1 4324/4885RAB9A 799/4885

“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.