SCHEMBL25510596

SCHEMBL25510596

CC(C)Cc1ccc(C(C)S)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
ESR2 Q92731 2/20 0.42
CPB2 Q96IY4 1/20 0.40
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
LMNA P02545 3/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
ALB P02768 1/20 0.34
ALOX5 P09917 1/20 0.34
RARB P10826 1/20 0.34
ADRB3 P13945 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2A P28223 1/20 0.34
NR1I3 Q14994 1/20 0.34
SLC22A6 Q4U2R8 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
SCHEMBL12020745 0.84 ESR1 (0.44) ESR1ESR2CPB2GABRA1GABRB2
SCHEMBL14406088 0.82 ESR1 (0.47) ESR1ESR2CPB2GABRA1GABRB2
SCHEMBL21503610 0.81 ESR1 (0.42) ESR1ESR2CPB2GABRA1GABRB2
SCHEMBL23005925 0.81 ESR1 (0.42) ESR1ESR2CPB2GABRA1GABRB2
SCHEMBL25510587 0.75 GABRA1 (0.35) ESR1CPB2GABRA1GABRB2PTGS1
SCHEMBL25636541 0.75 CCR1 (0.41) ESR1CPB2GABRA1GABRB2PTGS1
SCHEMBL2757254 0.74 LMNA (0.46) ESR1GABRA1GABRB2PTGS1PTGS2
SCHEMBL18858527 0.74 ESR1 (0.42) ESR1ESR2CPB2GABRA1GABRB2
SCHEMBL13044959 0.72 CYP11B1 (0.42) ESR1GABRA1GABRB2PTGS1PTGS2
SCHEMBL10130836 0.72 CPB2 (0.57) CPB2GABRA1GABRB2EPHX1XDH

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-20230143804-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. 2023-05-11 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-20230143804-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF HDAC6, HDAC1, HDAC3 ESR1 4718/4885ESR2 3254/4885CPB2 3101/4885

“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.