SCHEMBL19554302

SCHEMBL19554302

COc1cc(NC(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.45
ALDH1A1 P00352 9/20 0.42
GAA P10253 5/20 0.39
HSD17B10 Q99714 5/20 0.39
HPGD P15428 4/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
CYP17A1 P05093 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GLA P06280 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
ATR Q13535 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
SCHEMBL19554317 0.89 KDM4E (0.46) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL25380050 0.82 AAK1 (0.47) KDM4EALDH1A1GAACYP17A1MTNR1A
SCHEMBL2294920 0.82 ATR (0.40) KDM4EALDH1A1GAAKMT2AHTT
SCHEMBL13304082 0.81 MTNR1A (0.47) HTTMAPK1MTNR1AMTNR1BAAK1
SCHEMBL8760722 0.81 ALDH1A1 (0.40) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL29071965 0.78 AAK1 (0.45) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL28892753 0.78 ALDH1A1 (0.43) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL30002781 0.78 ALDH1A1 (0.43) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL23143694 0.78 KDM4E (0.45) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL25381719 0.78 PKM (0.43) ALDH1A1GAAKMT2AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 CN disclosed
EP-4146344-A1 IMINO SULFANONE INHIBITORS OF ENPP1 Volastra Therapeutics, Inc. (US) 2023-03-15 EP disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 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 (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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 KDM4E 3407/4885ALDH1A1 1567/4885GAA 1137/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 KDM4E 3407/4885ALDH1A1 1567/4885GAA 1137/4885

“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.