SCHEMBL20568846

SCHEMBL20568846

COC(=O)c1[nH]c2sccc2c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.39
PARP10 Q53GL7 4/20 0.39
TNKS2 Q9H2K2 4/20 0.39
PARP2 Q9UGN5 3/20 0.39
PARP14 Q460N5 1/20 0.39
GPR35 Q9HC97 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
XBP1 P17861 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 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
SCHEMBL23327755 0.83 GPR35 (0.54) PARP15PARP10TNKS2PARP2GPR35
SCHEMBL20569373 0.75 PARP15 (0.41) PARP15PARP10TNKS2PARP2PARP14
SCHEMBL7680104 0.70 TUBB4A (0.46) PARP15PARP10TNKS2PARP2PARP14
SCHEMBL20568162 0.68 LMNA (0.45) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL20568832 0.68 CHEK1 (0.35) GPR35ALDH1A1HPGDXBP1CNR1
SCHEMBL13011480 0.67 KIF11 (0.62) PARP15PARP10TNKS2PARP2PARP14
SCHEMBL20567844 0.66 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL1244177 0.66 ALDH1A1 (0.45) PARP15PARP10TNKS2ALDH1A1HPGD
SCHEMBL4592316 0.65 GPR35 (0.55) GPR35ALDH1A1HPGDCYP1A2XBP1
SCHEMBL27463230 0.65 ALDH1A1 (0.51) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630777-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215800-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 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-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, LCT PARP15 1589/4885PARP10 2135/4885TNKS2 2476/4885

“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.