SCHEMBL23972302

SCHEMBL23972302

O=C(O)C(O)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ACP3 P15309 1/20 0.41
CNR2 P34972 1/20 0.40
NOTUM Q6P988 1/20 0.40
KAT6A Q92794 1/20 0.40
CTSS P25774 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 3/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
PPARG P37231 2/20 0.37
CCR1 P32246 1/20 0.37
P2RX7 Q99572 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL5452247 0.84 IDO1 (0.49) IDO1TDO2ACP3CNR2NOTUM
SCHEMBL736845 0.84 ACP3 (0.51) ACP3CNR2LMNAMAPK1AKR1C3
SCHEMBL6679044 0.84 ACP3 (0.51) ACP3CNR2LMNAMAPK1AKR1C3
SCHEMBL5156128 0.84 ACP3 (0.51) ACP3CNR2LMNAMAPK1AKR1C3
SCHEMBL6676308 0.83 ACP3 (0.41) IDO1TDO2ACP3CNR2LMNA
SCHEMBL6680423 0.83 ACP3 (0.41) IDO1TDO2ACP3CNR2LMNA
SCHEMBL6676317 0.83 ACP3 (0.41) IDO1TDO2ACP3CNR2LMNA
SCHEMBL23973528 0.81 P2RX7 (0.54) ACP3CNR2CTSSLMNAMAPK1
SCHEMBL23972340 0.81 TAS2R14 (0.46) ACP3CNR2NOTUMCTSSLMNA
SCHEMBL23972274 0.78 CES2 (0.66) CES2CES1CNR2LMNAMAPK1

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
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 WO 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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 IDO1 624/4885TDO2 1751/4885CES2 4819/4885

“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.