SCHEMBL4048076

SCHEMBL4048076

CS(=O)(=O)n1cc(C=O)c2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
UBE2N P61088 1/20 0.43
PTGER4 P35408 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
ACLY P53396 1/20 0.38
ERN1 O75460 1/20 0.38
PTPN1 P18031 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
GAA P10253 1/20 0.35
HTR6 P50406 6/20 0.35
IMPDH2 P12268 1/20 0.35
KCNH2 Q12809 1/20 0.33

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
SCHEMBL946840 0.82 KDM4E (0.67) KDM4EUBE2NALDH1A1ACLYHTR6
SCHEMBL14747171 0.82 KDM4E (0.43) KDM4EUBE2NALDH1A1ERN1PTPN1
SCHEMBL945672 0.80 KDM4E (0.58) KDM4EUBE2NHTR6
SCHEMBL4772872 0.79 HTR6 (0.58) KDM4EUBE2NHTR6
SCHEMBL27957970 0.78 ACLY (0.36) PTGER4ALDH1A1ACLYHTR6KCNH2
SCHEMBL8503228 0.78 ACLY (0.45) ACLYHTR6KCNH2
SCHEMBL948143 0.78 HTR6 (0.55) KDM4EUBE2NALDH1A1HTR6KCNH2
SCHEMBL949233 0.78 KDM4E (0.52) KDM4EUBE2NACLYHTR6
SCHEMBL4776515 0.78 HTR6 (0.53) KDM4EUBE2NALDH1A1HTR6
SCHEMBL1418230 0.78 KDM4E (0.66) KDM4EUBE2NALDH1A1TDP1MEN1

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-1664052-B1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-7371757-B2 Fused heterocycles as inhibitors of glutamate racemase(MURI) ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 US disclosed
CN-1906169-A Therapeutic agents I ASTRAZENECA AB (SE) 2007-01-31 CN disclosed
US-20060252781-A1 Fused heterocycles as inhibitors of glutamate racemase(muri) ASTRAZENECA AB (SE) 2006-11-09 US disclosed
EP-1664052-A1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005016929-A1 FUSED HETEROCYLCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2005-02-24 WO disclosed
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections ASTRAZENECA AB (SE) 2004-12-16 US disclosed
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 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-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections DPYD, HPGDS, PGC KDM4E 3332/4885UBE2N 3651/4885PTGER4 926/4885
US-20060252781-A1 Fused heterocycles as inhibitors of glutamate racemase(muri) GLUL, RIMKLA, GGH KDM4E 1267/4885UBE2N 962/4885PTGER4 2481/4885
US-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 KDM4E 2659/4885UBE2N 3184/4885PTGER4 820/4885

“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.