SCHEMBL108942

SCHEMBL108942

CCS(=O)(=O)O.O=S(=O)(O)CCN1CCN(CCO)CC1.OCCN1CCNCC1

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CXCR4 P61073 2/20 0.33
LOX P28300 1/20 0.32
GAA P10253 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
HRH2 P25021 1/20 0.30
HRH1 P35367 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
Hydrochloric Acid SCHEMBL632500 0.98 ALDH1A1 (0.35) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10
SCHEMBL27541297 0.95 ALDH1A1 (0.34) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10
Ethane SCHEMBL17593441 0.95 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10
SCHEMBL2511955 0.95 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10
SCHEMBL1007938 0.95 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10
SCHEMBL3294493 0.95 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10
SCHEMBL27719314 0.94 HSD17B10 (0.37) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10
SCHEMBL28248770 0.93 POLB (0.37) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10
SCHEMBL28790654 0.92 POLB (0.38) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10
SCHEMBL83682 0.92 POLB (0.38) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345713-A1 A CONCENTRATED CULTURE SOLUTION AND APPLICATION METHOD THEREOF Shanghai CP Guojian Pharmaceutical Co. Ltd (CN) 2011-07-20 EP claimed
CN-118317947-A Sortilin inhibitors 索蒂纳制药股份有限公司 2024-07-09 CN disclosed
CN-118302162-A Small molecule inhibitors of KRAS muteins 默沙东有限责任公司 2024-07-05 CN disclosed
CN-118265710-A Pyridine compounds as KV7.2 enhancers 伊卡根有限责任公司 2024-06-28 CN disclosed
CN-118103379-A Solid forms of spirocyclic APOL1 inhibitors and methods of use thereof 弗特克斯药品有限公司 2024-05-28 CN disclosed
CN-113453760-B APOL1 inhibitors and methods of use thereof 弗特克斯药品有限公司 2024-05-24 CN disclosed
CN-111989400-B Alpha-amylase, compositions and methods 丹尼斯科美国公司 2024-05-24 CN disclosed
CN-118043339-A Antimicrobial peptidomimetics 巴斯利尔药物阿尔施维尔国际股份公司 2024-05-14 CN disclosed
CN-118043041-A LPAR1 antagonists and uses thereof 康蒂内乌姆医疗公司 2024-05-14 CN disclosed
CN-118043044-A Allosteric ketene inhibitors of phosphoinositide 3-kinase (PI 3K) for the treatment of disease 佩特拉制药公司 2024-05-14 CN disclosed
CN-1816337-A Naphthalene-containing melanocortin receptor-specific small molecule PALATIN TECHNOLOGIES INC (US) 2006-08-09 CN disclosed
CN-1263758-C 3, 7-diazabicyclo [3.3.0] octane and its use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-12 CN disclosed
CN-1745085-A Novel tetracyclic heteroatom containing derivatives as selective estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2006-03-08 CN disclosed
CN-1229350-C New azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2005-11-30 CN disclosed
WO-2005095448-A2 METHOD OF SYNTHESIZING AND PURIFYING DKK PROTEINS AND DKK PROTEINS OBTAINED THEREBY OSCIENT PHARMACEUTICALS CORPORATION (US) 2005-10-13 WO disclosed
CN-1620457-A tetracyclic heterocyclic compounds as estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2005-05-25 CN disclosed
CN-1608063-A Indolinone derivatives useful as protein kinase inhibitors THERAVANCE INC (US) 2005-04-20 CN disclosed
US-20050064388-A1 Methods and compositions for treating atheroma, tumors and other neoplastic tissue UNIVERSITY OF TEXAS 2005-03-24 US disclosed
CN-1489592-A 3, 7-diazabicyclo [3.3.0] octane and its use in the treatment of cardiac arrhythmias 2004-04-14 CN disclosed
CN-1440407-A Bispidine compounds and their use in treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-09-03 CN 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 (1 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-20050064388-A1 Methods and compositions for treating atheroma, tumors and other neoplastic tissue NR1H3, GSTK1, NR1H2 ALDH1A1 1150/4885KDM4E 4690/4885POLB 606/4885

“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.