SCHEMBL17448356

SCHEMBL17448356

Cc1ccc(Oc2ccc(C)cc2S(N)(=O)=O)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA1 P00915 2/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 6/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 1/20 0.41
EPAS1 Q99814 2/20 0.40
MAPT P10636 4/20 0.40
PTGES2 Q9H7Z7 2/20 0.40
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL16377066 0.85 TBXA2R (0.42) CA2CA9CA1TDP1EPAS1
SCHEMBL16376034 0.85 TBXA2R (0.49) ALDH1A1TDP1CYP3A4
SCHEMBL2400792 0.82 TDP1 (0.58) ALDH1A1KDM4ETDP1L3MBTL1MAPK1
SCHEMBL30811086 0.82 TDP1 (0.58) ALDH1A1KDM4ETDP1L3MBTL1MAPK1
SCHEMBL31536845 0.79 KMT2A (0.60) CA2CA9CA1ALDH1A1L3MBTL1
SCHEMBL5188196 0.79 KMT2A (0.60) CA2CA9CA1ALDH1A1L3MBTL1
SCHEMBL10864818 0.79 P2RX4 (0.47) CA2CA9CA1ALDH1A1KDM4E
SCHEMBL17448355 0.78 CA2 (0.41) CA2CA9CA1ALDH1A1KDM4E
SCHEMBL27382367 0.77 CA2 (0.50) CA2CA9CA1ALDH1A1KDM4E
SCHEMBL11529208 0.76 CA2 (0.50) CA2CA9CA1ALDH1A1KDM4E

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-9522877-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-12-20 US disclosed
US-9388127-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-07-12 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 (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-20160016900-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.