SCHEMBL30294635

SCHEMBL30294635

COc1ccc(Nc2ccc(C(F)(F)F)cc2C(=O)O)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.56
AKR1C2 P52895 5/20 0.56
DHODH Q02127 1/20 0.54
LIPC P11150 1/20 0.52
LIPG Q9Y5X9 1/20 0.52
KDM4E B2RXH2 2/20 0.51
APAF1 O14727 1/20 0.51
RECQL P46063 1/20 0.51
CASP6 P55212 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
MCL1 Q07820 1/20 0.51
CASP8 Q14790 1/20 0.51
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL22853081 1.00 AKR1C3 (0.56) AKR1C3AKR1C2DHODHLIPCLIPG
SCHEMBL22853079 0.88 MPO (0.57) AKR1C3AKR1C2DHODHLIPCLIPG
SCHEMBL22853392 0.88 DHODH (0.59) AKR1C3AKR1C2DHODHLIPCLIPG
SCHEMBL30294712 0.88 MPO (0.57) AKR1C3AKR1C2DHODHLIPCLIPG
SCHEMBL30294477 0.88 DHODH (0.59) AKR1C3AKR1C2DHODHLIPCLIPG
SCHEMBL22853044 0.85 MAPT (0.49) KDM4EMAPTLMNAKMT2ATSHR
SCHEMBL30294496 0.85 MAPT (0.49) KDM4EMAPTLMNAKMT2ATSHR
SCHEMBL31500249 0.85 AKR1C3 (0.64) AKR1C3AKR1C2DHODHMAPTMEN1
SCHEMBL3471637 0.83 MAPT (0.57) AKR1C3AKR1C2DHODHKDM4EMAPT
SCHEMBL8834053 0.81 AKR1C3 (0.63) AKR1C3AKR1C2KDM4EAPAF1RECQL

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 1 patent. 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

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 AKR1C3 2437/4885AKR1C2 2468/4885DHODH 1951/4885

“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.