SCHEMBL20550825

SCHEMBL20550825

CC(CC(=O)F)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
FOLH1 Q04609 2/20 0.30
NAALAD2 Q9Y3Q0 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 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
SCHEMBL6249964 0.80 SLC22A6 (0.39) CYP2D6CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL21462579 0.78 ALDH1A1 (0.48) CYP2D6CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL21462580 0.78 ALDH1A1 (0.48) CYP2D6CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL18117431 0.78 ALDH1A1 (0.48) CYP2D6CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL17165117 0.77 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL12164763 0.74 TSHR (0.40) CYP2D6CYP2C19RAB9AALDH1A1MMP1
SCHEMBL11780257 0.74 GRN (0.37) CYP2D6CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL20189493 0.74 ATM (0.36) CYP2D6CYP2C19NPC1RAB9AMMP2
SCHEMBL25276694 0.74 ALDH1A1 (0.39) CYP2D6CYP2C19ALDH1A1
SCHEMBL28709191 0.74 CYP2D6 (0.42) CYP2D6CYP2C19NPC1RAB9AFOLH1

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-20180318438-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-TWEAKR-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-08 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-20180318438-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-TWEAKR-ANTIBODIES KIF5B, KIF23, KIF2C CYP2D6 4773/4885CYP2C19 4878/4885PKM 1204/4885

“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.