SCHEMBL15035240

SCHEMBL15035240

CC(C)C1CSc2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.36
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRNP P04156 1/20 0.34
PPARG P37231 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
ACHE P22303 5/20 0.33
LMNA P02545 2/20 0.33
SLC25A5 P05141 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.32
CDC25B P30305 1/20 0.32
KMT2A Q03164 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL9780110 0.78 MAPT (0.35) S100A4MAPTTDP1MEN1KMT2A
SCHEMBL10723275 0.77 ACHE (0.48) S100A4MAPTTDP1ACHEMEN1
SCHEMBL68883 0.77 HPGD (0.37) S100A4MAPTTDP1ACHELMNA
SCHEMBL16510462 0.74 S100A4 (0.36) S100A4MAPTTDP1ACHELMNA
SCHEMBL13059128 0.74 SLC6A2 (0.35) MAPTTDP1HTR2AMEN1KMT2A
SCHEMBL9094355 0.73 S100A4 (0.35) S100A4MAPTTDP1ACHELMNA
SCHEMBL9835232 0.73 MAPT (0.36) S100A4MAPTTDP1ACHELMNA
Hydrochloric Acid SCHEMBL10894182 0.71 ANPEP (0.38) S100A4MAPTTDP1ACHELMNA
SCHEMBL11637916 0.71 KDM4E (0.36) MAPTLMNAHTR2BMEN1KMT2A
Hydrochloric Acid SCHEMBL10916075 0.70 ALDH1A1 (0.34) S100A4MAPTTDP1ACHELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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 (2 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 S100A4 4076/4885MAPT 2202/4885TDP1 2443/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 S100A4 1121/4885MAPT 18/4885TDP1 760/4885

“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.