SCHEMBL26554142

SCHEMBL26554142

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AAK1 Q2M2I8 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
FPR3 P25089 3/20 0.42
FPR2 P25090 3/20 0.42
HDAC1 Q13547 2/20 0.42
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL29437037 1.00 CA1 (0.55) CA1CA2GAATP53MAPT
SCHEMBL29437040 0.95 CA1 (0.50) CA1CA2GAATP53MAPT
SCHEMBL26554144 0.95 CA1 (0.50) CA1CA2GAATP53MAPT
SCHEMBL26554119 0.93 CA1 (0.46) CA1CA2GAATP53MAPT
SCHEMBL26554153 0.91 CA1 (0.55) CA1CA2AAK1TDP1KDM4E
SCHEMBL17878017 0.85 AURKB (0.48) MAPTSMN1; SMN2AAK1HDAC1LMNA
SCHEMBL26554150 0.83 AAK1 (0.47) CA1CA2GAAMAPTAAK1
SCHEMBL15284544 0.83 CA1 (0.59) CA1CA2SMN1; SMN2TDP1HDAC1
SCHEMBL16447475 0.82 AAK1 (0.45) CA1CA2MAPTSMN1; SMN2AAK1
SCHEMBL22975096 0.82 CA1 (0.70) CA1CA2GAAFPR3FPR2

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 2655/4885GAA 3595/4885

“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.