SCHEMBL37457

SCHEMBL37457

CC(=O)O[C@@H]1C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](COC(=O)c2ccc(Cl)cc2)O1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.72
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
POLB P06746 1/20 0.43
GLA P06280 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL12800214 1.00 UPP1 (0.72) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL37456 1.00 UPP1 (0.72) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL13376174 1.00 UPP1 (0.72) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL2671532 0.89 UPP1 (0.74) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL4982268 0.89 UPP1 (0.74) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL11648434 0.89 UPP1 (0.58) UPP1ALDH1A1CYP2C19HPGDMAPT
SCHEMBL2672608 0.89 UPP1 (0.74) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL11648441 0.89 UPP1 (0.58) UPP1ALDH1A1CYP2C19HPGDMAPT
SCHEMBL8053414 0.89 UPP1 (0.74) UPP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL16749118 0.89 UPP1 (0.58) UPP1ALDH1A1CYP2C19HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341772-B1 SYNTHESIS OF DECITABINE SCINOPHARM TAIWAN LTD (TW) 2013-04-17 EP claimed
EP-2467391-B1 PROCESS FOR THE PREPARATION OF CLADRIBINE SCINOPHARM KUNSHAN BIOCHEMICAL TECHNOLOGY CO LTD (CN) 2016-04-27 EP disclosed
EP-2891660-A1 Process for the preparation of cladribine Scinopharm (Kunshan) Biochemical Technology Co., Ltd. (CN) 2015-07-08 EP disclosed
EP-2318423-B1 PROCESS FOR MAKING 5-AZACYTOSINE NUCLEOSIDES AND THEIR DERIVATIVES SCINOPHARM TAIWAN LTD (TW) 2014-05-07 EP disclosed
US-8586729-B2 Synthesis of decitabine SCINOPHARM TAIWAN LTD. (TW) 2013-11-19 US disclosed
US-8338586-B2 Process of making cladribine SCINOPHARM (KUNSHAN) BIOCHEMICAL TECHNOLOGY CO., LTD. (CN) 2012-12-25 US disclosed
US-20120197010-A1 PROCESS OF MAKING CLADRIBINE SCINOPHARM (KUNSHAN) BIOCHEMICAL TECHNOLOGY CO., LTD. (CN) 2012-08-02 US disclosed
US-8232387-B2 Process for the preparation of cladribine SCINOPHARM TAIWAN, LTD. (TW) 2012-07-31 US disclosed
EP-2467391-A1 PROCESS FOR THE PREPARATION OF CLADRIBINE Scinopharm (Kunshan) Biochemical Technology Co., Ltd. (CN) 2012-06-27 EP disclosed
WO-2011020298-A1 PROCESS FOR THE PREPARATION OF CLADRIBINE SCINOPHARM (KUNSHAN) BIOCHEMICAL TECHNOLOGY CO., LTD. (CN) 2011-02-24 WO disclosed
US-20110046363-A1 Process for the Preparation of Cladribine SCINOPHARM (KUNSHAN) BIOCHEMICAL TECHNOLOGY CO., LTD. (CN) 2011-02-24 US disclosed
US-20100087637-A1 Synthesis of Decitabine SCINOPHARM TAIWAN LTD. 2010-04-08 US disclosed
US-20100036112-A1 Process for Making 5-Azacytosine Nucleosides and Their Derivatives SCINOPHARM TAIWAN LTD. 2010-02-11 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 (4 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-20100036112-A1 Process for Making 5-Azacytosine Nucleosides and Their Derivatives DCTD, DUT, DPYD UPP1 76/4885CHRNB2 4868/4885CHRNA5 3798/4885
US-20100087637-A1 Synthesis of Decitabine DCTD, DUT, DPYD UPP1 87/4885CHRNB2 3996/4885CHRNA5 3324/4885
US-20120197010-A1 PROCESS OF MAKING CLADRIBINE PNP, CPSF1, NSUN2 UPP1 26/4885CHRNB2 4322/4885CHRNA5 4187/4885
US-20110046363-A1 Process for the Preparation of Cladribine ADAR, RNMT, RNGTT UPP1 300/4885CHRNB2 3456/4885CHRNA5 3098/4885

“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.