SCHEMBL19002303

SCHEMBL19002303

CC(=O)COCc1ccc(O)nc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EGLN1 Q9GZT9 8/20 0.35
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
HSD11B1 P28845 1/20 0.33
ESR1 P03372 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MET P08581 1/20 0.32
PLA2G4B P0C869 1/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL21901109 0.83 EGLN1 (0.37) ALDH1A1NPC1RAB9AEGLN1POLB
SCHEMBL23222216 0.83 POLB (0.39) ALDH1A1NPC1RAB9AEGLN1KMT2A
SCHEMBL18997783 0.83 MAPK1 (0.42) ALDH1A1NPC1RAB9AEGLN1POLB
SCHEMBL19002710 0.81 CES2 (0.32) ALDH1A1
SCHEMBL19002699 0.81 NNMT (0.45) NPC1KMT2ASMN1; SMN2MET
SCHEMBL15066867 0.77 P4HTM (0.43) ALDH1A1NPC1RAB9AKMT2APOLB
SCHEMBL19002289 0.75 GRM5 (0.36) ALDH1A1RAB9AKMT2APLA2G4BMAOB
SCHEMBL26036026 0.75 GHSR (0.32) ALDH1A1MAOB
SCHEMBL1971555 0.74 NPC1 (0.36) ALDH1A1NPC1RAB9APOLBESR1
SCHEMBL774884 0.74 POLB (0.38) ALDH1A1NPC1RAB9AKMT2APOLB

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 ALDH1A1 2765/4885NPC1 2024/4885RAB9A 2641/4885

“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.