SCHEMBL26554144

SCHEMBL26554144

CC(C)(C)OC(=O)NCCCCCC(=O)Nc1cc(Br)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CYP3A4 P08684 1/20 0.47
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
TDP1 Q9NUW8 1/20 0.45
FPR3 P25089 2/20 0.45
FPR2 P25090 2/20 0.45
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HDAC4 P56524 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CA12 O43570 2/20 0.43

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
SCHEMBL29437040 1.00 CA1 (0.50) CA1CA2CYP3A4HDAC3HDAC1
SCHEMBL29437037 0.95 CA1 (0.55) CA1CA2CYP3A4HDAC3HDAC1
SCHEMBL26554142 0.95 CA1 (0.55) CA1CA2CYP3A4HDAC3HDAC1
SCHEMBL26554119 0.91 CA1 (0.46) CA1CA2HDAC1TDP1FPR3
SCHEMBL26554153 0.86 CA1 (0.55) CA1CA2CYP3A4HDAC3HDAC1
SCHEMBL17878017 0.83 AURKB (0.48) HDAC3HDAC1LMNAHDAC10HDAC6
SCHEMBL31203355 0.82 CA1 (0.64) CA1CA2CYP3A4HDAC3HDAC1
SCHEMBL25401616 0.82 HDAC3 (0.53) HDAC3HDAC1TDP1LMNAHDAC4
SCHEMBL26554150 0.81 AAK1 (0.47) CA1CA2TDP1FPR3FPR2
SCHEMBL31203371 0.81 CA1 (0.64) CA1CA2CYP3A4HDAC3HDAC1

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-20230331683-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2023-10-19 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-20230331683-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY SPNS2, SPCS2, SMN1; SMN2 CA1 3773/4885CA2 2655/4885CYP3A4 4516/4885

“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.