SCHEMBL23364799

SCHEMBL23364799

CC(C)(C)COc1ccc(F)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
XDH P47989 1/20 0.35
BACE1 P56817 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP17A1 P05093 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 2/20 0.32
MCHR1 Q99705 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 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

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
SCHEMBL29932965 1.00 PDK2 (0.41) PDK2XDHBACE1CYP2C9CYP2C19
SCHEMBL30495511 0.88 MCHR1 (0.40) PDK2CYP2C9CYP2C19CYP17A1KDM4E
SCHEMBL25291414 0.88 MCHR1 (0.40) PDK2CYP2C9CYP2C19CYP17A1KDM4E
SCHEMBL18586671 0.84 KDM4E (0.45) CYP2C9CYP2C19CYP17A1KDM4ECYP1A2
SCHEMBL12492969 0.83 PDK2 (0.30) PDK2CYP2C9CYP2C19CYP17A1
SCHEMBL17430827 0.83 PDK2 (0.44) PDK2XDHBACE1CYP2C9CYP2C19
SCHEMBL25298076 0.80 HDAC3 (0.35) CYP2C9CYP2C19CYP17A1KDM4ECYP1A2
SCHEMBL30495515 0.80 HDAC3 (0.35) CYP2C9CYP2C19CYP17A1KDM4ECYP1A2
SCHEMBL19229873 0.80 PDK2 (0.42) PDK2XDHBACE1CYP2C9CYP2C19
SCHEMBL15710785 0.79 NQO1 (0.50) KDM4ECYP1A2CYP3A4ALDH1A1

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-20240002374-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION 2024-01-04 US disclosed
EP-4058439-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY Genzyme Corporation (US) 2022-09-21 EP disclosed
CN-115003659-A 5-membered heteroaryl amino sulfonamides for the treatment of conditions mediated by a deficiency in CFTR activity 健赞公司 2022-09-02 CN disclosed
WO-2021097057-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION (US) 2021-05-20 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-20240002374-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY CFTR, PKD2, PKD1 PDK2 2770/4885XDH 1232/4885BACE1 3750/4885

“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.