SCHEMBL1600641

SCHEMBL1600641

COc1c(N)cc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
CFTR P13569 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 1/20 0.35
AURKA O14965 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CA12 O43570 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
SCHEMBL12706039 0.87 RARG (0.39) POLBMAPTMEN1ALDH1A1GAA
SCHEMBL690103 0.82 POLB (0.44) L3MBTL1RAB9APOLBMAPTMEN1
Hydrochloric Acid SCHEMBL11874645 0.81 POLB (0.48) L3MBTL1RAB9APOLBMAPTMEN1
SCHEMBL10319678 0.78 MEN1 (0.33) POLBMAPTMEN1ALDH1A1GAA
SCHEMBL12705247 0.77 POLB (0.50) L3MBTL1RAB9APOLBMAPTMEN1
SCHEMBL689608 0.77 L3MBTL1 (0.51) L3MBTL1RAB9AMAPTMEN1ALDH1A1
SCHEMBL19022203 0.76 MEN1 (0.31) POLBMAPTMEN1ALDH1A1GAA
SCHEMBL25451269 0.76 POLB (0.43) POLBMAPTMEN1ALDH1A1GAA
SCHEMBL22927077 0.76 CFTR (0.39) L3MBTL1RAB9APOLBGAACFTR
SCHEMBL25463686 0.76 POLB (0.39) L3MBTL1RAB9APOLBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 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 (4 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A L3MBTL1 4720/4885RAB9A 2499/4885POLB 3602/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A L3MBTL1 4720/4885RAB9A 2499/4885POLB 3602/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B L3MBTL1 4433/4885RAB9A 4338/4885POLB 3891/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A L3MBTL1 4720/4885RAB9A 2499/4885POLB 3602/4885

“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.