SCHEMBL19985854

SCHEMBL19985854

CCOC(=O)CC(c1c(F)cc(CO)cc1F)C(C#N)CC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL19985846 0.80 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL19985864 0.79 F2 (0.41) CYP4F2CYP4A11MAPT
SCHEMBL19972236 0.72 SMN1; SMN2 (0.40) MAPT
SCHEMBL12611715 0.67 NLRP3 (0.37) MAPT
SCHEMBL16585893 0.66 KMT2A (0.41) MAPT
SCHEMBL29021038 0.65 GAA (0.40) MAPT
SCHEMBL28296997 0.63 SMN1; SMN2 (0.40) MAPT
SCHEMBL3499415 0.63 CYP4F2 (0.56) CYP4F2CYP4A11
SCHEMBL6576846 0.63 SMN1; SMN2 (0.44) MAPT
SCHEMBL19985848 0.63 MAPT (0.55) MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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 (1 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 CYP4F2 525/4885CYP4A11 1298/4885MAPT 4276/4885

“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.