SCHEMBL15035952

SCHEMBL15035952

Cc1cc([S+](C)[O-])ccc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.35
TRPA1 O75762 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
KDM4E B2RXH2 3/20 0.33
CARM1 Q86X55 1/20 0.33
PLA2G1B P04054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL15035953 0.78 PDE2A (0.33) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL15035950 0.78 LMNA (0.37) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL15030378 0.76 TDP1 (0.41) ALDH1A1LMNAKDM4ETDP1GAA
SCHEMBL23664861 0.74 GABRA1 (0.32)
SCHEMBL13748290 0.74 AR (0.31)
SCHEMBL15035947 0.74 NOTUM (0.40) TRPA1
SCHEMBL23664865 0.73 GABRA1 (0.31) LMNA
SCHEMBL23234614 0.73 POLB (0.33) ALDH1A1TDP1GAA
SCHEMBL20780326 0.72 ALDH1A1 (0.42) ALDH1A1ADRA1AKMT2AMEN1HTT
SCHEMBL11684162 0.71 TP53 (0.48) ALDH1A1HPGDKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 ALDH1A1 2379/4885HPGD 2811/4885LMNA 4335/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 ALDH1A1 2622/4885HPGD 1889/4885LMNA 3830/4885

“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.