SCHEMBL18300097

SCHEMBL18300097

CCOC(=O)c1c(NC(=O)c2cc(F)c(F)c(F)c2)sc2c1CC(C)(C)NC2(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 4/20 0.60
KDM4E B2RXH2 3/20 0.60
LMNA P02545 3/20 0.56
TP53 P04637 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
GLA P06280 1/20 0.55
MAPK1 P28482 1/20 0.55
UBE2N P61088 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
THRB P10828 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 2/20 0.49
MITF O75030 2/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL18309628 0.88 ALDH1A1 (0.61) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL18300329 0.87 KMT2A (0.64) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL18309632 0.87 ALDH1A1 (0.55) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL18300589 0.86 ALDH1A1 (0.61) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL18300584 0.84 ALDH1A1 (0.68) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL18309614 0.83 ALDH1A1 (0.67) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL18309602 0.83 KMT2A (0.52) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL18300099 0.82 KMT2A (0.61) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL18300415 0.82 KMT2A (0.61) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL18309615 0.82 ALDH1A1 (0.68) KMT2AALDH1A1MEN1KDM4ELMNA

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-9988395-B2 Antiparasitic compositions and methods utilizing substituted 5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-C]pyridine derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-06-05 US disclosed
US-20170349606-A1 ANTIPARASITIC COMPOSITIONS AND METHODS UTILIZING SUBSTITUTED 5,5,7,7-TETRAMETHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C] PYRIDINE DERIVATIVES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-12-07 US disclosed
US-20160362420-A1 Antiparasitic Compositions and Methods Utilizing Substituted 5,5,7,7-Tetramethyl- 4,5,6,7-Tetrahydrothieno[2,3-C]Pyridine Derivatives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-12-15 US disclosed
US-20160362420-A1 Antiparasitic Compositions and Methods Utilizing Substituted 5,5,7,7-Tetramethyl- 4,5,6,7-Tetrahydrothieno[2,3-C]Pyridine Derivatives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-12-15 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-20170349606-A1 ANTIPARASITIC COMPOSITIONS AND METHODS UTILIZING SUBSTITUTED 5,5,7,7-TETRAMETHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C] PYRIDINE DERIVATIVES COX5B, COX6C, CYCS KMT2A 3427/4885ALDH1A1 2095/4885MEN1 3083/4885
US-20160362420-A1 Antiparasitic Compositions and Methods Utilizing Substituted 5,5,7,7-Tetramethyl- 4,5,6,7-Tetrahydrothieno[2,3-C]Pyridine Derivatives COX5B, COX6C, CYCS KMT2A 3427/4885ALDH1A1 2095/4885MEN1 3083/4885

“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.