SCHEMBL3401337

SCHEMBL3401337

COC(=O)/C(C(C)=O)=C(/N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 3/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 2/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS1 P23219 1/20 0.41
PKM P14618 1/20 0.40
SRC P12931 1/20 0.40
KMT2A Q03164 4/20 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
SCHEMBL3401338 1.00 TSHR (0.47) TSHRCES2CES1ALDH1A1LMNA
SCHEMBL15481446 0.83 SMN1; SMN2 (0.42) TSHRCES2CES1ALDH1A1MAPT
SCHEMBL12499267 0.81 TSHR (0.50) TSHRCES2CES1ALDH1A1LMNA
SCHEMBL12499268 0.81 TSHR (0.50) TSHRCES2CES1ALDH1A1LMNA
SCHEMBL3398770 0.81 KMT2A (0.58) ALDH1A1LMNAMAPTHSD17B10TDP1
SCHEMBL3398766 0.81 KMT2A (0.58) ALDH1A1LMNAMAPTHSD17B10TDP1
SCHEMBL27767832 0.81 ALDH1A1 (0.55) ALDH1A1LMNAMAPTPOLBCYP3A4
SCHEMBL27941250 0.77 TSHR (0.54) TSHRCES2CES1LMNAMAPT
SCHEMBL24704036 0.75 TSHR (0.56) TSHRCES2CES1ALDH1A1LMNA
SCHEMBL17877694 0.75 ALDH1A1 (0.43) TSHRCES2CES1ALDH1A1LMNA

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 TSHR 2187/4885CES2 3659/4885CES1 1913/4885
US-20150209336-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY HIF1A, HIF1AN, EGLN3 TSHR 2192/4885CES2 3692/4885CES1 1983/4885

“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.