SCHEMBL30168352

SCHEMBL30168352

CC(C)(C)OC(=O)Nc1cnc(C(F)F)cc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.41
GAA P10253 2/20 0.41
P2RX3 P56373 1/20 0.37
METAP1 P53582 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
APLNR P35414 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP17A1 P05093 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALK Q9UM73 2/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL30271368 0.86 GAA (0.44) AAK1GAAP2RX3SMN1; SMN2POLB
SCHEMBL24195947 0.81 AAK1 (0.41) AAK1P2RX3METAP1APLNRCYP17A1
SCHEMBL30755736 0.79 P2RX3 (0.42) AAK1GAAP2RX3SMN1; SMN2APLNR
SCHEMBL32667285 0.76 AAK1 (0.40) AAK1GAAP2RX3SMN1; SMN2APLNR
SCHEMBL17553623 0.75 SMN1; SMN2 (0.46) GAASMN1; SMN2POLBMEN1LMNA
SCHEMBL30778501 0.74 P2RX3 (0.44) AAK1P2RX3POLBLMNARXFP1
SCHEMBL26633347 0.73 GSK3B (0.42) AAK1P2RX3APLNRMAPK1ALK
SCHEMBL30271346 0.73 CYP17A1 (0.37) AAK1GAAMETAP1SMN1; SMN2POLB
SCHEMBL21046797 0.72 GAA (0.41) AAK1GAAP2RX3SMN1; SMN2APLNR
SCHEMBL1421040 0.72 NAMPT (0.48) CYP17A1

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-20250179045-A1 LPAR1 ANTAGONISTS AND USES THEREOF CONTINEUM THERAPEUTICS, INC. 2025-06-05 US disclosed
WO-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 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-20250179045-A1 LPAR1 ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR3 AAK1 892/4885GAA 2146/4885P2RX3 339/4885

“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.