SCHEMBL15035940

SCHEMBL15035940

Cc1nc(S(C)(=O)=O)ncc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TLR9 Q9NR96 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.33
MITF O75030 1/20 0.33
S1PR4 O95977 1/20 0.33
PKM P14618 1/20 0.33
PAX8 Q06710 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL18539154 0.82 GLP1R (0.38) ALDH1A1TLR9NPC1TP53MAPT
SCHEMBL2350715 0.77 MAPT (0.42) ALDH1A1TLR9NPC1TP53MAPT
SCHEMBL19117911 0.77 KDM5A (0.36) ALDH1A1TLR9NPC1TP53MAPT
SCHEMBL10582722 0.73 TP53 (0.41) ALDH1A1TLR9NPC1TP53MAPT
SCHEMBL7586541 0.73 MAPT (0.55) ALDH1A1TLR9NPC1TP53MAPT
SCHEMBL2412593 0.72 CHRNA7 (0.37) ALDH1A1TLR9NPC1TP53MAPT
SCHEMBL10646837 0.72 MAPT (0.46) ALDH1A1TLR9NPC1TP53MAPT
SCHEMBL18799333 0.72 TP53 (0.38) ALDH1A1TLR9NPC1TP53MAPT
SCHEMBL25988487 0.72 GLP1R (0.36) ALDH1A1TLR9NPC1TP53MAPT
SCHEMBL2609311 0.72 P2RX3 (0.36) LMNAP2RX3P2RX2

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 2379/4885TLR9 4437/4885NPC1 1396/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 ALDH1A1 2622/4885TLR9 4779/4885NPC1 3290/4885

“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.