SCHEMBL17502108

SCHEMBL17502108

NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ USP2 O75604 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ LMNA P02545 1/20 0.45
▸ CNR1 P21554 3/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ PARP2 Q9UGN5 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CCR8 P51685 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL28853128 0.87 TSHR (0.54) KMT2AMEN1GAAALDH1A1NPSR1
SCHEMBL29467287 0.85 CNR1 (0.51) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL1256021 0.85 CNR1 (0.51) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL17502106 0.80 KMT2A (0.50) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL1990490 0.78 ALDH1A1 (0.61) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL17478912 0.78 KDM4E (0.46) KMT2APOLBALDH1A1KDM4ENPSR1
SCHEMBL22714758 0.76 ALDH1A1 (0.59) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL17593030 0.75 BCAT2 (0.49) ALDH1A1KDM4EMAPTHSD17B10PARP1
SCHEMBL1987895 0.74 CNR1 (0.54) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL16102708 0.74 EDNRA (0.48) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY WASHINGTON UNIVERSITY (US) 2017-05-18 — — US disclosed
US-20160046651-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY UNIV WASHINGTON (US) 2016-02-18 — — 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 (2 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-20160046651-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY IMPDH1, IMPDH2, SHMT2 KMT2A 2156/4885MEN1 2920/4885GAA 816/4885
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY IMPDH1, IMPDH2, SHMT2 KMT2A 2156/4885MEN1 2920/4885GAA 816/4885

“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.

Send feedback