SCHEMBL25790183

SCHEMBL25790183

CCC[N+]1=C(C)C(C)(C)c2c1ccc1c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.40
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL136522 0.88 FOLH1 (0.41) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7750174 0.87 MAPT (0.41) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL716121 0.85 FOLH1 (0.39) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL716120 0.85 FOLH1 (0.47) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20150964 0.85 FOLH1 (0.47) FOLH1HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL7750134 0.84 FOLH1 (0.46) FOLH1HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL7750130 0.84 FOLH1 (0.46) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14823545 0.82 FOLH1 (0.43) FOLH1KDM4EMEN1ALDH1A1POLB
SCHEMBL16195355 0.82 MEN1 (0.39) FOLH1KDM4EMEN1ALDH1A1POLB
SCHEMBL15095683 0.80 FOLH1 (0.44) FOLH1HDAC3HDAC4HDAC1HDAC7

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-20230219932-A1 COMPOUND AND LABELED BIOLOGICAL SUBSTANCE USING THE SAME FUJIFILM CORPORATION (JP) 2023-07-13 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-20230219932-A1 COMPOUND AND LABELED BIOLOGICAL SUBSTANCE USING THE SAME BMP1, BMP2, NPSR1 FOLH1 1233/4885HDAC3 1855/4885HDAC4 2575/4885

“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.