SCHEMBL25938656

SCHEMBL25938656

CC(C)(C)c1cc(C(F)(F)F)cc(Br)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
NOTUM Q6P988 1/20 0.35
CES2 O00748 1/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 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
SCHEMBL1186260 0.85 NT5E (0.38) NOTUMCES2KDM4EALDH1A1L3MBTL1
SCHEMBL25065725 0.81 GABRA2 (0.41) GABRA2GABRB2CES2ARKDM4E
SCHEMBL21610868 0.80 KDM4E (0.31) NOTUMKDM4EALDH1A1L3MBTL1
SCHEMBL21609845 0.80 LRRK2 (0.34) NOTUMRIPK1
SCHEMBL2480104 0.80 CES2 (0.37) NOTUMCES2KDM4EALDH1A1KIF11
SCHEMBL12553825 0.78 HSP90AA1 (0.42) GABRA2GABRB2CES2ARKDM4E
SCHEMBL25065724 0.77 CYP1A2 (0.38) GABRA2GABRB2NOTUMKDM4EALDH1A1
SCHEMBL23344931 0.76 NOS3 (0.42) GABRA2GABRB2KDM4EHSD17B10
SCHEMBL15927343 0.76 GABRA2 (0.49) GABRA2GABRB2CES2ARGABRP
SCHEMBL9007713 0.75 KDM4E (0.38) GABRB2KDM4EALDH1A1HSD17B10GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 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 (3 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH GABRA2 4336/4885GABRB2 4175/4885NOTUM 1782/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH GABRA2 3730/4885GABRB2 3707/4885NOTUM 1788/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH GABRA2 3730/4885GABRB2 3707/4885NOTUM 1788/4885

“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.