SCHEMBL918255

SCHEMBL918255

CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCC(C(C)(C)C)C2

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HPGD P15428 1/20 0.66
THRB P10828 2/20 0.64
MAPT P10636 6/20 0.60
POLB P06746 3/20 0.60
TP53 P04637 2/20 0.60
KMT2A Q03164 2/20 0.59
GAA P10253 2/20 0.53
ANO1 Q5XXA6 1/20 0.52
CNR2 P34972 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL918266 0.91 POLB (0.64) KDM4EALDH1A1SMN1; SMN2HPGDTHRB
SCHEMBL918839 0.85 ALDH1A1 (0.67) KDM4EALDH1A1THRBMAPTPOLB
SCHEMBL919327 0.83 THRB (0.59) KDM4EALDH1A1SMN1; SMN2HPGDTHRB
SCHEMBL919329 0.83 THRB (0.59) KDM4EALDH1A1SMN1; SMN2HPGDTHRB
SCHEMBL6201333 0.83 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2HPGDTHRB
SCHEMBL917815 0.82 MAPT (0.72) KDM4EALDH1A1SMN1; SMN2HPGDTHRB
SCHEMBL8289737 0.81 MAPT (0.58) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL12768295 0.81 THRB (0.56) KDM4EALDH1A1THRBMAPTPOLB
SCHEMBL8288716 0.81 ALDH1A1 (0.98) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL919331 0.79 MAPT (0.70) KDM4EALDH1A1SMN1; SMN2THRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US claimed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US claimed
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-26 US disclosed
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
WO-2009079373-A2 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-25 WO disclosed
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 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 (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-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH KDM4E 3018/4885ALDH1A1 2143/4885SMN1; SMN2 4008/4885
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 KDM4E 4228/4885ALDH1A1 3981/4885SMN1; SMN2 3546/4885
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 KDM4E 4228/4885ALDH1A1 3981/4885SMN1; SMN2 3546/4885
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 KDM4E 4211/4885ALDH1A1 3888/4885SMN1; SMN2 3632/4885

“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.