SCHEMBL4097098

SCHEMBL4097098

O=C(O)N1[C@H](CO)CC[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.45
TRPA1 O75762 6/20 0.43
RIPK1 Q13546 4/20 0.36
USP5 P45974 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CNR1 P21554 3/20 0.35
KDM1A O60341 2/20 0.35
USP30 Q70CQ3 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL14563156 0.84 TRPA1 (0.50) FFAR2TRPA1RIPK1
SCHEMBL2351859 0.82 FFAR2 (0.43) FFAR2TRPA1
SCHEMBL20835375 0.82 RIPK1 (0.44) TRPA1RIPK1
SCHEMBL4083074 0.81 FFAR2 (0.43) FFAR2RIPK1USP5HDAC6CNR1
SCHEMBL4501609 0.80 FFAR2 (0.44) FFAR2TRPA1USP5HDAC6
SCHEMBL2584676 0.80 FFAR2 (0.44) FFAR2TRPA1USP5HDAC6
SCHEMBL30871631 0.78 CYP3A4 (0.38) TRPA1
SCHEMBL30871678 0.78 CYP3A4 (0.38) TRPA1
SCHEMBL2587832 0.78 FFAR2 (0.42) FFAR2TRPA1
SCHEMBL4512466 0.78 FFAR2 (0.42) FFAR2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP 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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 FFAR2 1593/4885TRPA1 441/4885RIPK1 4835/4885

“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.