SCHEMBL19002544

SCHEMBL19002544

CCC(C)C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.55
CHRNG P07510 1/20 0.55
CHRNB1 P11230 1/20 0.55
CHRNB2 P17787 1/20 0.55
SLC6A2 P23975 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
SLC6A3 Q01959 1/20 0.55
CHRND Q07001 1/20 0.55
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.40
RAB9A P51151 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL16569128 0.84 CES2 (0.56) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL23222212 0.84 CHRNA1 (0.54) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL17996478 0.82 HTT (0.59) SMN1; SMN2MEN1KMT2ARAB9AKDM4E
SCHEMBL19002550 0.81 CHRNA1 (0.59) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL21947347 0.81 GAA (0.44) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3860137 0.81 CHRNA1 (0.62) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2294689 0.81 CES2 (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24221611 0.80 LMNA (0.48) GAARAB9AKDM4EDBHRECQL
SCHEMBL16150533 0.80 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13262327 0.79 ALDH1A1 (0.49) SLC6A2SLC6A3CES2CES1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CHRNA1 4728/4885CHRNG 4583/4885CHRNB1 4534/4885

“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.