SCHEMBL3402134

SCHEMBL3402134

CCCCOC(=O)c1nc(-c2ccccc2)c2c(CBr)nsc2c1OC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
TSHR P16473 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
CNR2 P34972 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
ELANE P08246 1/20 0.34
PRTN3 P24158 1/20 0.34
ADORA3 P0DMS8 4/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL3404885 0.89 EGFR (0.41) EGFRTSHRL3MBTL1TDP1ALDH1A1
SCHEMBL3406929 0.72 EGFR (0.43) EGFRTSHRL3MBTL1TDP1ALDH1A1
SCHEMBL3404112 0.70 EGFR (0.43) EGFRTSHRL3MBTL1TDP1ALDH1A1
SCHEMBL3780178 0.69 EGFR (0.44) EGFRTSHRL3MBTL1TDP1CNR2
SCHEMBL3400564 0.69 EGFR (0.42) EGFRTSHRL3MBTL1TDP1ALDH1A1
SCHEMBL3404578 0.69 EGFR (0.43) EGFRTSHRL3MBTL1TDP1ALDH1A1
SCHEMBL3401611 0.69 EGFR (0.43) EGFRTSHRL3MBTL1TDP1ALDH1A1
SCHEMBL3406381 0.68 GPR84 (0.42)
SCHEMBL13345951 0.65 L3MBTL1 (0.57) TSHRL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL1973776 0.65 EGFR (0.45) EGFRTSHRL3MBTL1TDP1ALDH1A1

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-9387200-B2 Isothiazole-pyridine derivatives as modulators of HIF (hypoxia inducible factor) activity FIBROGEN, INC. (US) 2016-07-12 US disclosed
US-20150209336-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN, INC. 2015-07-30 US disclosed
US-8952160-B2 Isothiazole-pyridine derivatives as modulators of HIF (hypoxia inducible factor) activity FIBROGEN, INC. (US) 2015-02-10 US disclosed
EP-2252619-B1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN INC (US) 2013-10-09 EP disclosed
US-20100330199-A1 ISOTHIAZOLE-PYRIDINE DERIVATES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN, INC. 2010-12-30 US disclosed
EP-2252619-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY Fibrogen, Inc. (US) 2010-11-24 EP disclosed
WO-2009089547-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN, INC. (US) 2009-07-16 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 (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-20100330199-A1 ISOTHIAZOLE-PYRIDINE DERIVATES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY HIF1A, HIF1AN, EGLN3 EGFR 1343/4885TSHR 2187/4885L3MBTL1 4161/4885
US-20150209336-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY HIF1A, HIF1AN, EGLN3 EGFR 1363/4885TSHR 2192/4885L3MBTL1 4160/4885

“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.