SCHEMBL3404112

SCHEMBL3404112

CCCCOC(=O)c1nc(-c2ccccc2)c2snc(C)c2c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
ADORA3 P0DMS8 5/20 0.43
APP P05067 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 2/20 0.39
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
ESR1 P03372 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL3406929 0.92 EGFR (0.43) EGFRADORA3APPL3MBTL1TSHR
SCHEMBL3788294 0.89 L3MBTL1 (0.47) APPL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL3404472 0.86 APP (0.43) APPL3MBTL1TSHRTDP1ALDH1A1
SCHEMBL3402955 0.85 ESR1 (0.42) APPL3MBTL1TSHRTDP1GAA
SCHEMBL3404578 0.84 EGFR (0.43) EGFRADORA3L3MBTL1TSHRTDP1
SCHEMBL3401833 0.82 ESR1 (0.41) L3MBTL1TSHRTDP1GAAMAPK1
SCHEMBL3401611 0.82 EGFR (0.43) EGFRADORA3L3MBTL1TSHRTDP1
SCHEMBL3407508 0.81 ESR1 (0.40) L3MBTL1TSHRTDP1GAAMAPK1
SCHEMBL3401390 0.81 ESR1 (0.42) APPL3MBTL1TSHRTDP1GAA
SCHEMBL3400564 0.80 EGFR (0.42) EGFRADORA3L3MBTL1TSHRTDP1

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 1343/4885ADORA3 3241/4885APP 4464/4885
US-20150209336-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY HIF1A, HIF1AN, EGLN3 EGFR 1363/4885ADORA3 2905/4885APP 4482/4885

“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.