SCHEMBL22853403

SCHEMBL22853403

C[C@H]1CCCC[C@H]1Nc1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.52
TAS1R1 Q7RTX1 3/20 0.52
TAS1R2 Q8TE23 3/20 0.52
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TAS2R14 Q9NYV8 3/20 0.46
LIPC P11150 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
GRIK1 P39086 1/20 0.45
JAK3 P52333 1/20 0.45
MLYCD O95822 1/20 0.44
ACLY P53396 1/20 0.44
KDM1A O60341 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL22853402 1.00 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL30294454 1.00 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL30294318 1.00 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL495472 0.84 KDM4E (0.44) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL22833339 0.83 LIPC (0.43) KDM4EALDH1A1HPGDHSD17B10TAS2R14
SCHEMBL30294534 0.83 LIPC (0.43) KDM4EALDH1A1HPGDHSD17B10TAS2R14
SCHEMBL495525 0.82 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10TAS2R14
SCHEMBL495853 0.82 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10TAS2R14
SCHEMBL496065 0.82 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10TAS2R14
SCHEMBL495678 0.78 TACR1 (0.46) HSD17B10LIPCLIPGLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 US disclosed
WO-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 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-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B TAS1R3 555/4885TAS1R1 506/4885TAS1R2 529/4885

“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.