SCHEMBL3028166

SCHEMBL3028166

Cc1cc(C)c(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(C)c1.[NaH]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
HPGD P15428 3/20 0.77
MAPK1 P28482 3/20 0.77
MEN1 O00255 2/20 0.77
NSD2 O96028 2/20 0.77
POLB P06746 2/20 0.77
MAPT P10636 2/20 0.77
THRB P10828 2/20 0.77
RECQL P46063 2/20 0.77
P2RY1 P47900 2/20 0.77
KMT2A Q03164 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
NPSR1 Q6W5P4 2/20 0.77
TDP1 Q9NUW8 2/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
GNG2 P59768 5/20 0.65
GNB1 P62873 5/20 0.65
PHLPP2 Q6ZVD8 2/20 0.61
P2RY4 P51582 9/20 0.59
P2RY2 P41231 7/20 0.58

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
SCHEMBL11333865 0.99 ALDH1A1 (0.79) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL30205040 0.98 ALDH1A1 (0.77) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL11603300 0.89 ALDH1A1 (0.64) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL8630004 0.87 GNG2 (0.66) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL13214108 0.87 GNG2 (0.64) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL3030977 0.87 GNG2 (0.76) ALDH1A1HPGDMAPK1MEN1NSD2
Acid Blue 129 SCHEMBL29425182 0.86 P2RY1 (1.00) ALDH1A1HPGDMAPK1MEN1NSD2
Acid Blue 129 SCHEMBL2854160 0.86 P2RY1 (1.00) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL13214098 0.86 GNG2 (0.78) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL28444449 0.86 P2RY4 (0.74) ALDH1A1HPGDMAPK1MEN1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129653-B1 NOVEL P2Y12 RECEPTOR ANTAGONISTS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2017-05-17 EP disclosed
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 US disclosed
EP-1967513-A1 Novel P2Y12 receptor antagonists Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2008-09-10 EP disclosed
US-4289496-A LOW LIQUID TO MATERIAL RATIO RESULTING IN UNIFORMITY OF FINISHING SANDOZ LTD. (CH) 1981-09-15 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-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY11, P2RY13 ALDH1A1 2377/4885HPGD 978/4885MAPK1 1228/4885

“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.