SCHEMBL15035947

SCHEMBL15035947

CC(C)c1ccc([S+](C)[O-])cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
RORC P51449 1/20 0.36
S1PR1 P21453 1/20 0.33
AR P10275 1/20 0.31
TRPA1 O75762 1/20 0.31
PDE2A O00408 3/20 0.30
P2RX7 Q99572 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 0.77 PDE2A (0.33) TRPA1PDE2A
SCHEMBL15041851 0.77 NOTUM (0.36) NOTUMPDE3BPDE3AS1PR1
SCHEMBL16511824 0.75 CFTR (0.31)
SCHEMBL15035952 0.74 ALDH1A1 (0.37) TRPA1
SCHEMBL21337688 0.73 KIF11 (0.44)
SCHEMBL15035950 0.73 LMNA (0.37) TRPA1PDE2A
SCHEMBL12825441 0.72 MGLL (0.30)
SCHEMBL10624896 0.72 NOTUM (0.44) NOTUMPDE3BPDE3ARORCS1PR1
SCHEMBL4547922 0.72 NOTUM (0.44) NOTUMPDE3BPDE3ARORCS1PR1
SCHEMBL8291096 0.72 PDE2A (0.50) NOTUMPDE3BPDE3ARORCS1PR1

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 NOTUM 4593/4885PDE3B 1091/4885PDE3A 907/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 NOTUM 3748/4885PDE3B 1472/4885PDE3A 1290/4885

“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.