SCHEMBL17119690

SCHEMBL17119690

COc1c(F)ccc(F)c1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
MEP1B Q16820 1/20 0.36
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAPT P10636 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
PDE5A O76074 3/20 0.31
PDE4A P27815 3/20 0.31
PDE1A P54750 3/20 0.31
PDE1B Q01064 3/20 0.31
PDE4B Q07343 3/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 3/20 0.31
PDE3B Q13370 3/20 0.31
PDE1C Q14123 3/20 0.31
PDE3A Q14432 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL24725613 0.86 CA2 (0.38) CA2CA4MEP1BCYP4F2CYP4A11
SCHEMBL17119684 0.78 MEP1B (0.36) CA2CA4MEP1BTAAR1KDM4E
SCHEMBL19743855 0.78 TAAR1 (0.39) MEP1BTAAR1KDM4EALDH1A1MAPK1
SCHEMBL34463045 0.77 TAAR1 (0.52) TAAR1KDM4EMAPK1
SCHEMBL18978995 0.77 LMNA (0.39) CYP4F2CYP4A11PDE5APDE4APDE1A
SCHEMBL24180080 0.77 HMGCR (0.37) MEP1BTAAR1KDM4EALDH1A1
SCHEMBL9873091 0.75 KDM4E (0.43) CA2CA4MEP1BKDM4EALDH1A1
SCHEMBL1561647 0.75 TAAR1 (0.36) CYP4F2CYP4A11TAAR1
SCHEMBL31719480 0.75 ROCK2 (0.38) CYP4F2CYP4A11PDE5APDE4APDE1A
SCHEMBL4399022 0.75 ROCK2 (0.38) CYP4F2CYP4A11PDE5APDE4APDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 US disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 US disclosed
US-9493454-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-9493454-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MANNKIND CORPORATION 2015-09-24 US disclosed
US-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MANNKIND CORPORATION 2015-09-24 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 (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-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 CA2 4052/4885CA4 4778/4885MEP1B 1525/4885
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 CA2 4052/4885CA4 4778/4885MEP1B 1525/4885

“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.