SCHEMBL1974809

SCHEMBL1974809

CCCCOC(=O)c1nc(-c2ccccc2)c2sccc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
TSHR P16473 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ADORA3 P0DMS8 3/20 0.41
ADORA1 P30542 1/20 0.41
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38

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
SCHEMBL1973776 0.92 EGFR (0.45) EGFRTSHRL3MBTL1TDP1ADORA3
SCHEMBL1972992 0.89 ESR1 (0.38) EGFRTSHRL3MBTL1TDP1ADORA3
SCHEMBL1973361 0.87 CDC7 (0.39) TSHRL3MBTL1TDP1ADORA1MAPK1
SCHEMBL1974917 0.86 MAPT (0.44) TSHRL3MBTL1TDP1ADORA3ADORA1
SCHEMBL1972250 0.85 ADORA2A (0.43) EGFRTSHRL3MBTL1TDP1ADORA1
SCHEMBL1974634 0.85 ESR1 (0.43) TSHRL3MBTL1TDP1GAAALDH1A1
SCHEMBL1974405 0.84 ESR1 (0.44) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL1973167 0.84 ESR1 (0.43) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL1973342 0.83 ADORA2A (0.43) TSHRL3MBTL1TDP1ADORA1ALDH1A1
SCHEMBL1971890 0.83 MAPT (0.47) EGFRTSHRL3MBTL1TDP1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000006-B2 Thienopyridine compounds, and methods of use thereof FIBROGEN, INC. (US) 2015-04-07 US disclosed
US-20140221422-A1 NOVEL THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2014-08-07 US disclosed
US-8703795-B2 Thienopyridine compounds, and methods of use thereof FIBROGEN, INC. (US) 2014-04-22 US disclosed
EP-1866318-B1 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN INC (US) 2011-06-22 EP disclosed
EP-1866318-A2 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2007-12-19 EP disclosed
WO-2006094292-A2 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2006-09-08 WO disclosed
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof FIBROGEN, INC. 2006-09-07 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-20140221422-A1 NOVEL THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN2 EGFR 4595/4885TSHR 2835/4885L3MBTL1 3104/4885
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof HIF1AN, HIF1A, EGLN2 EGFR 4595/4885TSHR 2835/4885L3MBTL1 3104/4885

“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.