SCHEMBL13650701

SCHEMBL13650701

CC(C)(C)CCS(=O)(=O)c1ccc(CC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
ESR1 P03372 1/20 0.44
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PSIP1 O75475 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
GAA P10253 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.35
CA1 P00915 1/20 0.35
MLNR O43193 1/20 0.35
PTPRB P23467 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL13657280 0.86 CA2 (0.44) CA2ESR1HSD11B1ALDH1A1CYP3A4
SCHEMBL12315287 0.82 PSIP1 (0.59) CA2ESR1HSD11B1ALDH1A1PSIP1
SCHEMBL13657278 0.82 ALDH1A1 (0.47) CA2ESR1HSD11B1ALDH1A1CYP3A4
SCHEMBL17803840 0.81 ALDH1A1 (0.64) CA2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL15577883 0.79 PLCG1 (0.55) CA2HSD11B1ALDH1A1CYP3A4CYP2C9
SCHEMBL2451016 0.79 PSIP1 (0.56) CA2HSD11B1ALDH1A1CYP3A4CYP2C9
SCHEMBL18701019 0.79 ALDH1A1 (0.55) CA2ESR1HSD11B1ALDH1A1PSIP1
SCHEMBL2600037 0.76 ESR1 (0.50) CA2ESR1HSD11B1THRATHRB
SCHEMBL11100709 0.75 ESR1 (0.54) CA2ESR1HSD11B1ALDH1A1CYP2C9
SCHEMBL8338766 0.75 CA2 (0.61) CA2CA1

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-20090246211-A1 Molecular constructs suitable for targeted conjugates TAPESTRY PHARMACEUTICALS, INC. 2009-10-01 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-20090246211-A1 Molecular constructs suitable for targeted conjugates MRPL21, QSOX1, MLX CA2 4114/4885ESR1 1178/4885HSD11B1 3114/4885

“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.