SCHEMBL25824534

SCHEMBL25824534

Cc1cc(C(C)S)cc(C(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL19007329 0.85 NOS3 (0.43) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL21078890 0.79 NOS3 (0.44) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL4547885 0.73 NOS2 (0.61) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL28202668 0.70 NOS3 (0.42) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL15980604 0.70 NOS3 (0.42) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL29051972 0.70 NOS3 (0.42) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL20063092 0.70 NOS3 (0.42) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL20063088 0.70 NOS3 (0.42) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL807733 0.70 KMT2A (0.47) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL803445 0.69 POLB (0.38) NOS3NOS1NOS2

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NOS3 817/4885NOS1 3333/4885NOS2 3467/4885

“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.