SCHEMBL3590668

SCHEMBL3590668

CCOC(=O)c1ccc(=O)[nH]c1C(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 3/20 0.42
GAA P10253 3/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ATM Q13315 2/20 0.40
TDP2 O95551 1/20 0.40

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
SCHEMBL1857268 0.83 CHEK1 (0.48) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL612717 0.79 ALDH1A1 (0.60) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL9631567 0.76 TSHR (0.50) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL18395324 0.76 TSHR (0.50) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL1929467 0.76 TSHR (0.46) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL3593126 0.75 ALDH1A1 (0.49) KDM4EALDH1A1MAPTLMNAL3MBTL1
SCHEMBL9632084 0.75 GAA (0.51) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL1929497 0.74 KDM4E (0.44) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL4008556 0.73 SMN1; SMN2 (0.47) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL3590274 0.72 MAPT (0.54) KDM4EALDH1A1MAPTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 US disclosed
US-7541020-B2 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION (US) 2009-06-02 US disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
CN-101263133-A New pyridine analogues ASTRAZENECA AB (SE) 2008-09-10 CN disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
US-20080039437-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2008-02-14 US disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
US-7063967-B2 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION (US) 2006-06-20 US disclosed
US-20030199460-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION (US) 2003-10-23 US disclosed
US-20030092643-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION 2003-05-15 US disclosed
US-6355257-B1 Aminoalkyl glucosamine phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION 2002-03-12 US disclosed
US-6113918-A IMMUNOLOGY RIBI IMMUNOCHEM RESEARCH, INC. (US) 2000-09-05 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 (5 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-20030199460-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors DNPEP, CD68, MGAT3 TSHR 4102/4885KDM4E 2349/4885ALDH1A1 3027/4885
US-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 TSHR 2499/4885KDM4E 2658/4885ALDH1A1 1928/4885
US-20030092643-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors DNPEP, CD68, MGAT3 TSHR 4102/4885KDM4E 2349/4885ALDH1A1 3027/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 TSHR 1372/4885KDM4E 3901/4885ALDH1A1 1691/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 TSHR 2853/4885KDM4E 1759/4885ALDH1A1 1274/4885

“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.