SCHEMBL26704182

SCHEMBL26704182

CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
HDAC3 O15379 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC11 Q96DB2 2/20 0.58
FLT1 P17948 3/20 0.58
FLT4 P35916 3/20 0.58
KDR P35968 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
P4HTM Q9NXG6 2/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RECQL P46063 1/20 0.57
PTPN1 P18031 1/20 0.56
PTGS2 P35354 2/20 0.56
PTGS1 P23219 1/20 0.56
HDAC1 Q13547 1/20 0.56

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
SCHEMBL5931288 0.88 FLT1 (0.71) LMNAFLT1FLT4KDRMEN1
SCHEMBL12201959 0.86 PTGS2 (0.66) LMNAHDAC3HDAC8HDAC6HDAC11
Styrene SCHEMBL8645680 0.85 HDAC3 (0.51) LMNAHDAC3HDAC8HDAC6HDAC11
SCHEMBL8769364 0.85 LMNA (0.52) LMNAFLT1FLT4KDRMEN1
SCHEMBL6397060 0.84 KAT6A (0.73) LMNAMEN1KMT2AALDH1A1
SCHEMBL174010 0.84 FLT1 (0.77) LMNAFLT1FLT4KDRMEN1
SCHEMBL19248164 0.84 PTPN1 (0.64) LMNAFLT1FLT4KDRMEN1
SCHEMBL15679406 0.83 FLT1 (0.61) LMNAHDAC8HDAC6FLT1FLT4
SCHEMBL790393 0.83 PTGS2 (0.67) LMNAFLT1FLT4KDRMEN1
SCHEMBL7278965 0.83 P4HTM (0.65) LMNAFLT1FLT4KDRMEN1

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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 LMNA 1740/4885HDAC3 3501/4885HDAC8 3373/4885

“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.