SCHEMBL1647095

SCHEMBL1647095

O=S(=O)(O)CCCN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.47
SIGMAR1 Q99720 2/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APP P05067 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
KDM1A O60341 1/20 0.35
MEN1 O00255 1/20 0.35

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
Hydrochloric Acid SCHEMBL5865342 0.98 CXCR4 (0.46) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
Sulfuric Acid SCHEMBL29036120 0.98 CXCR4 (0.46) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
SCHEMBL435751 0.94 CXCR4 (0.48) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
Hydrochloric Acid SCHEMBL29631987 0.92 CXCR4 (0.47) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
Hydrochloric Acid SCHEMBL5865479 0.91 CXCR4 (0.50) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
Trifluoromethanesulfonic Acid SCHEMBL29036126 0.90 CXCR4 (0.43) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
SCHEMBL342435 0.88 POLB (0.42) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
SCHEMBL10823165 0.86 POLB (0.41) CXCR4SIGMAR1POLBSMN1; SMN2CHRM5
SCHEMBL7618304 0.86 POLB (0.41) CXCR4SIGMAR1POLBSMN1; SMN2CHRM5
SCHEMBL27856922 0.85 CXCR4 (0.38) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997462-A1 ASSAYS FOR IMPROVING AUTOMATED ANTIMICROBIAL SUSCEPTIBILITY TESTING ACCURACY Selux Diagnostics Inc. (US) 2022-05-18 EP claimed
WO-2021007492-A1 ASSAYS FOR IMPROVING AUTOMATED ANTIMICROBIAL SUSCEPTIBILITY TESTING ACCURACY SeLux Diagnostics, Inc. (US) 2021-01-14 WO claimed
EP-1968598-B1 PYRIMIDINE-2,4-DIAMINES AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2014-02-19 EP claimed
US-7713987-B2 Pyrimidine-2,4-diamines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-05-11 US claimed
EP-1968598-A1 PYRIMIDINE-2,4-DIAMINES AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2008-09-17 EP claimed
WO-2008088303-A1 PYRIMIDINE-2,4-DIAMINES AND THEIR USES RIGEL, PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20070129362-A1 Pyrimidine-2,4-diamines and their uses MIDCAP FINANCIAL TRUST 2007-06-07 US claimed
US-20070129360-A1 N2-Chlorocarbonyl-N4-(2,2-dimethyl-3-oxo-4H-5-pyrido[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine; kinase inhibitors; breast cancer; inhibiting signal transduction cascades in which Syk plays a role PHAMIDIPATI SOMASEKHAR 2007-06-07 US claimed
WO-2007002345-A2 METHOD FOR IMPROVING WATER SOLUBILITY OF CHITOSAN BAUSCH & LOMB INCORPORATED (US) 2007-01-04 WO claimed
EP-0396584-B1 ASSAY OF SALICYLATES OR REDUCED PYRIDINE NUCLEOTIDES MICROBIOLOGICAL RES AUTHORITY (GB) 1995-01-25 EP claimed
EP-0396584-A1 ASSAY OF SALICYLATES OR REDUCED PYRIDINE NUCLEOTIDES. HEALTH LAB SERVICE BOARD (GB) 1990-11-14 EP claimed
WO-1989005356-A1 ASSAY OF SALICYLATES OR REDUCED PYRIDINE NUCLEOTIDES THE PUBLIC HEALTH LABORATORY SERVICE BOARD (GB) 1989-06-15 WO claimed
CN-121914038-A Preparation method of 3- (piperazine-1-yl) propane-1-sulfonic acid 山东万纳生物科技有限公司 2026-04-24 CN disclosed
CN-121914038-A Preparation method of 3- (piperazine-1-yl) propane-1-sulfonic acid 山东万纳生物科技有限公司 2026-04-24 CN disclosed
EP-4658247-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROCALCITONEMIA Vivacelle Bio, Inc. (US) 2025-12-10 EP disclosed
US-20250101032-A1 EXATECAN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES THEREOF ALX Oncology Inc. 2025-03-27 US disclosed
EP-2062036-A1 METHODS, CASSETTES, GELS AND APPARATUSES FOR ISOLATION AND COLLECTION OF BIOMOLECULES FROM ELECTROPHORESIS GELS Life Technologies Corporation (US) 2009-05-27 EP disclosed
EP-1910509-A1 DEVICE FOR PROCESSING A BIOLOGICAL AND/OR CHEMICAL SAMPLE AND METHOD OF USING THE SAME Attogenix Biosystems Pte Ltd. (SG) 2008-04-16 EP disclosed
WO-2008028127-A1 METHODS, CASSETTES, GELS AND APPARATUSES FOR ISOLATION AND COLLECTION OF BIOMOLECULES FROM ELECTROPHORESIS GELS Life Technologies Corporation (US) 2008-03-06 WO disclosed
WO-2007011305-A1 DEVICE FOR PROCESSING A BIOLOGICAL AND/OR CHEMICAL SAMPLE AND METHOD OF USING THE SAME ATTOGENIX BIOSYSTEMS PTE LTD. (SG) 2007-01-25 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 (3 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-20070129360-A1 N2-Chlorocarbonyl-N4-(2,2-dimethyl-3-oxo-4H-5-pyrido[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine; kinase inhibitors; breast cancer; inhibiting signal transduction cascades in which Syk plays a role SYK, LYN, BTK CXCR4 1951/4885SIGMAR1 2727/4885POLB 3247/4885
US-20070129362-A1 Pyrimidine-2,4-diamines and their uses DCK, DPYD, DTYMK CXCR4 1337/4885SIGMAR1 4435/4885POLB 550/4885
US-20250101032-A1 EXATECAN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES THEREOF CTSB, CTSE, CTSD CXCR4 328/4885SIGMAR1 4723/4885POLB 2528/4885

“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.