SCHEMBL3158247

SCHEMBL3158247

Cc1ccc(S(=O)(=O)OCCn2cnc3cnc(N)nc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ADRA1A P35348 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC6 Q9UBN7 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
GAA P10253 2/20 0.34
CXCL8 P10145 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34

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
SCHEMBL31748895 0.75 SMN1; SMN2 (0.58) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL4868317 0.70 HDAC6 (0.55) ALDH1A1ADRA1AHDAC6SMN1; SMN2LMNA
SCHEMBL8211578 0.70 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2CA1CA9
SCHEMBL11646152 0.69 LMNA (0.40) LMNA
SCHEMBL31662452 0.69 CA12 (0.42) ALDH1A1HPGDLMNACA1CA9
SCHEMBL4289197 0.68 CYP24A1 (0.46) KDM4EHPGDSMN1; SMN2LMNACA1
SCHEMBL13327063 0.68 PTGS2 (0.45) ALDH1A1KDM4EHPGDCA1CA9
SCHEMBL14642669 0.68 CDK1 (0.56) ALDH1A1KDM4EHPGDHSD17B10ADRA1A
SCHEMBL27698392 0.68 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10ADRA1A
SCHEMBL241884 0.67 CA1 (0.52) ALDH1A1HPGDSMN1; SMN2LMNACA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636231-B1 METHODS FOR PREPARING 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]-2-AMINOPURINE USING A COMPOUND OF 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES KYUNGDONG PHARM CO LTD (KR) 2010-03-24 EP disclosed
CN-100455583-C 2-amino-9- (2-substituted ethyl) purines and methods of using same to prepare 9- [ 4-acetoxy-3- (acetoxymethyl) butan-1-yl ] -2-aminopurine KYUNGDONG PHARM CO LTD (KR) 2009-01-28 CN disclosed
US-7456282-B2 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2008-11-25 US disclosed
US-7456282-B2 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2008-11-25 US disclosed
US-20060258862-A1 2-Amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2006-11-16 US disclosed
CN-1791602-A 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9- 4-acetoxy-3-(acetoxymethyl)but-1-yl]- 2- aminopurine using the same KYUNGDONG PHARM CO LTD (KR) 2006-06-21 CN disclosed
EP-1636231-A2 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES AND PREPARING METHODS FOR 9- 4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]- 2- AMINOPURINE USING THE SAME Kyungdong Pharm. Co., Ltd. (KR) 2006-03-22 EP disclosed
WO-2004110343-A2 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES AND PREPARING METHODS FOR 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]- 2- AMINOPURINE USING THE SAME KYUNGDONG PHARM. CO., LTD. (KR) 2004-12-23 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 (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-20060258862-A1 2-Amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same TYMP, TPMT, PNP ALDH1A1 1015/4885KDM4E 783/4885HPGD 2021/4885

“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.