SCHEMBL5187403

SCHEMBL5187403

CCCS(=O)(=O)NCC(C)(F)c1ccc(-c2ccc(C(=O)NCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
PPARD Q03181 1/20 0.38
P2RY14 Q15391 1/20 0.37
KIF11 P52732 1/20 0.36
MLYCD O95822 2/20 0.36
ANPEP P15144 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
EPHX2 P34913 2/20 0.36

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
SCHEMBL5186063 0.88 RXRA (0.40) KIF11KMT2AEPHX2
SCHEMBL5186198 0.87 CA12 (0.38) CA12CA9SMN1; SMN2P2RY14KIF11
SCHEMBL5187397 0.83 HDAC4 (0.43) HDAC4HDAC6CA12CA9LMNA
SCHEMBL6561643 0.83 ALDH1A1 (0.39) CA12CA9HPGDKIF11KDM4E
SCHEMBL5186197 0.82 KIF11 (0.41) LMNASMN1; SMN2PPARDKIF11
SCHEMBL5186003 0.81 HPGD (0.47) LMNAHPGDSMN1; SMN2MLYCDKDM4E
SCHEMBL5186061 0.80 KIF11 (0.36) P2RY14KIF11
SCHEMBL6155949 0.79 KIF11 (0.50) CA12CA9KIF11KDM4EKMT2A
SCHEMBL5186164 0.79 KIF11 (0.50) CA12CA9KIF11KDM4EKMT2A
SCHEMBL5186196 0.79 KIF11 (0.39) KIF11EPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183232-B1 MONOFLUOROALKYL DERIVATIVES LILLY CO ELI (US) 2007-10-03 EP claimed
US-7034045-B1 Monofluoroalkyl derivatives ELI LILLY AND COMPANY (US) 2006-04-25 US claimed
EP-1183232-B1 MONOFLUOROALKYL DERIVATIVES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-7034045-B1 Monofluoroalkyl derivatives ELI LILLY AND COMPANY (US) 2006-04-25 US disclosed
EP-1330233-B1 METHOD OF TREATING STROKE LILLY CO ELI (US) 2005-02-02 EP disclosed
US-20040063680-A1 Method of treating stroke CLEMENS JAMES ALLEN (US) 2004-04-01 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-20040063680-A1 Method of treating stroke ASAH2, PCSK7, PCSK9 HDAC4 782/4885HDAC6 110/4885CA12 422/4885

“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.