SCHEMBL1972992

SCHEMBL1972992

CCCCOC(=O)c1nc(-c2ccc(F)cc2)c2sccc2c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL1976187 0.93 ESR1 (0.39) ESR1TRPM8MAPK1KDM4ENPC1
SCHEMBL1974809 0.89 EGFR (0.44) ESR1MAPK1ALDH1A1LMNATSHR
SCHEMBL1973361 0.85 CDC7 (0.39) ESR1MAPK1MAPTLMNATSHR
SCHEMBL1972250 0.84 ADORA2A (0.43) ESR1MAPK1LMNATSHRCYP1A2
SCHEMBL1974634 0.83 ESR1 (0.43) ESR1MAPK1ALDH1A1MAPTLMNA
SCHEMBL1974405 0.82 ESR1 (0.44) ESR1MAPK1MAPTLMNATSHR
SCHEMBL1973167 0.82 ESR1 (0.43) ESR1MAPK1LMNATSHRCYP1A2
SCHEMBL1974917 0.82 MAPT (0.44) ESR1MAPK1KDM4EALDH1A1MAPT
SCHEMBL1973776 0.82 EGFR (0.45) ESR1MAPK1ALDH1A1LMNATSHR
SCHEMBL1972674 0.80 L3MBTL1 (0.45) ESR1MAPK1MAPTLMNATSHR

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 ESR1 3632/4885TRPM8 777/4885MAPK1 4028/4885
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof HIF1AN, HIF1A, EGLN2 ESR1 3632/4885TRPM8 777/4885MAPK1 4028/4885

“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.