SCHEMBL13626587

SCHEMBL13626587

CC(=O)COc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2cn(C)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
PTGER2 P43116 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CA12 O43570 8/20 0.42
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
CA4 P22748 8/20 0.42
CA9 Q16790 8/20 0.42
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
PGGT1B P53609 2/20 0.41

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
SCHEMBL8272711 0.93 PTGER2 (0.49) NR1H2NR1H3PTGER2MEN1KMT2A
SCHEMBL13399073 0.90 PTGER2 (0.51) NR1H2NR1H3PTGER2MEN1KMT2A
SCHEMBL6058900 0.84 MEN1 (0.47) NR1H2NR1H3PTGER2MEN1KMT2A
SCHEMBL5043195 0.83 TLR7 (0.47) NR1H2NR1H3PTGER2MEN1KMT2A
SCHEMBL5048029 0.83 FFAR1 (0.47) NR1H2NR1H3PTGER2MEN1KMT2A
SCHEMBL8211041 0.82 CA12 (0.52) NR1H2NR1H3PTGER2MEN1KMT2A
SCHEMBL13399074 0.82 CA12 (0.61) PTGER2MEN1KMT2ACA12CA1
SCHEMBL13399264 0.81 PTGER2 (0.64) PTGER2CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL5046437 0.81 CA12 (0.51) NR1H2NR1H3PTGER2MEN1KMT2A
SCHEMBL6059327 0.80 CA12 (0.51) PTGER2MEN1KMT2ACA12CA1

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-7622475-B2 EP2 agonists PFIZER INC (US) 2009-11-24 US disclosed
US-20080045545-A1 EP2 AGONISTS PFIZER INC. 2008-02-21 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-20080045545-A1 EP2 AGONISTS PTGER2, PTGER1, PTGIR NR1H2 179/4885NR1H3 234/4885PTGER2 1/4885

“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.