SCHEMBL25754941

SCHEMBL25754941

COc1ncccc1-c1ncc(C(=O)O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.55
PIN1 Q13526 1/20 0.51
DHODH Q02127 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
PDE10A Q9Y233 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
CARM1 Q86X55 1/20 0.37
EIF4E P06730 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL14953188 0.75 PIN1 (0.63) PIN1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL25754929 0.72 PIN1 (0.55) PIN1DHODHKDM4ELMNAPOLB
SCHEMBL14286642 0.72 CCR1 (0.51) PIN1TDP1KDM4ELMNAPOLB
SCHEMBL28981732 0.72 BTK (0.45) BTKDHODHFFAR4PDE10ANPC1
SCHEMBL30307604 0.72 BTK (0.45) BTKDHODHFFAR4PDE10ANPC1
SCHEMBL3592405 0.72 PIN1 (0.63) PIN1RAB9ATDP1KDM4ELMNA
SCHEMBL7899073 0.72 DHODH (0.56) BTKDHODHNPC1RAB9ATDP1
SCHEMBL28939219 0.71 ALPL (0.59) PIN1KDM4EPOLBHTTSMN1; SMN2
SCHEMBL23846993 0.71 PIN1 (0.66) PIN1KDM4ESMN1; SMN2RECQLCA1
SCHEMBL2042515 0.71 DHODH (0.58) BTKDHODHFFAR4PDE10ANPC1

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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 BTK 2039/4885PIN1 3482/4885DHODH 2900/4885

“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.