SCHEMBL917815

SCHEMBL917815

CCOC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc2c1CCC(C(C)(C)C)C2

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.72
HTT P42858 2/20 0.72
ALDH1A1 P00352 7/20 0.57
RAB9A P51151 1/20 0.57
THRB P10828 2/20 0.57
POLB P06746 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ANO1 Q5XXA6 1/20 0.49
MAPK1 P28482 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL918761 0.93 MAPT (0.70) MAPTHTTALDH1A1RAB9ATHRB
SCHEMBL20340699 0.90 ALDH1A1 (0.70) MAPTHTTALDH1A1RAB9ATHRB
SCHEMBL20353929 0.90 ALDH1A1 (0.70) MAPTHTTALDH1A1RAB9ATHRB
SCHEMBL20354028 0.87 MAPT (0.58) MAPTHTTALDH1A1RAB9APOLB
SCHEMBL20340712 0.87 MAPT (0.58) MAPTHTTALDH1A1RAB9APOLB
SCHEMBL918255 0.82 KDM4E (0.66) MAPTALDH1A1THRBPOLBKDM4E
SCHEMBL919329 0.81 THRB (0.59) MAPTHTTALDH1A1THRBPOLB
SCHEMBL919327 0.81 THRB (0.59) MAPTHTTALDH1A1THRBPOLB
SCHEMBL20353856 0.79 POLB (0.53) MAPTHTTALDH1A1RAB9APOLB
SCHEMBL20339211 0.79 POLB (0.53) MAPTHTTALDH1A1RAB9APOLB

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 16 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

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 MAPT 2107/4885HTT 536/4885ALDH1A1 2143/4885
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 MAPT 655/4885HTT 864/4885ALDH1A1 3981/4885
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 MAPT 655/4885HTT 864/4885ALDH1A1 3981/4885
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 MAPT 727/4885HTT 846/4885ALDH1A1 3888/4885

“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.