SCHEMBL17448355

SCHEMBL17448355

Cc1ccc(Oc2ccccc2I)c(S(N)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
CA1 P00915 2/20 0.41
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
P2RX4 Q99571 3/20 0.38
CA12 O43570 3/20 0.37
CA14 Q9ULX7 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10864818 0.80 P2RX4 (0.47) CA2CA9CA1ALDH1A1KDM4E
SCHEMBL27382367 0.79 CA2 (0.50) CA2CA9CA1ALDH1A1KDM4E
SCHEMBL16376031 0.79 EPAS1 (0.40) P2RX4
SCHEMBL17680648 0.79 P2RX4 (0.41) CA2CA9P2RX4CA12CA14
SCHEMBL17448356 0.78 CA2 (0.46) CA2CA9CA1ALDH1A1KDM4E
SCHEMBL16377065 0.78 TBXA2R (0.40) CA2CA9CA1P2RX4CA12
SCHEMBL16376033 0.78 TBXA2R (0.47) CA2CA9CA1PTGS2KDM4E
SCHEMBL17448360 0.75 TBXA2R (0.60)
SCHEMBL5188196 0.74 KMT2A (0.60) CA2CA9CA1ALDH1A1CA12
SCHEMBL31536845 0.74 KMT2A (0.60) CA2CA9CA1ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298020-A1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS ATXA THERAPEUTICS LIMITED (IE) 2017-10-19 US disclosed
US-9522877-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-12-20 US disclosed
US-20160280640-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LIMITED (IE) 2016-09-29 US disclosed
US-9388127-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-07-12 US disclosed
US-20160102051-A1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS ATXA THERAPEUTICS LIMITED (IE) 2016-04-14 US disclosed
US-20160016900-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LIMITED (IE) 2016-01-21 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 (4 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-20160102051-A1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS TBXA2R, PTGFR, TBXAS1 CA2 3111/4885CA9 3838/4885CA1 4728/4885
US-20170298020-A1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS TBXA2R, PTGFR, TBXAS1 CA2 3111/4885CA9 3838/4885CA1 4728/4885
US-20160016900-A1 THROMBOXANE RECEPTOR ANTAGONISTS TBXA2R, TBXAS1, PTGIR CA2 2497/4885CA9 3025/4885CA1 4340/4885
US-20160280640-A1 THROMBOXANE RECEPTOR ANTAGONISTS TBXA2R, TBXAS1, PTGIR CA2 2497/4885CA9 3025/4885CA1 4340/4885

“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.