SCHEMBL13062074

SCHEMBL13062074

Cc1onc(-c2ccccc2)c1CNC(=O)[C@H](Cc1ccccc1)n1cc(-c2ccc(S)cc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA3 P07451 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA13 Q8N1Q1 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.42
MAPT P10636 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
GABRA5 P31644 6/20 0.40
HDAC3 O15379 2/20 0.39

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
SCHEMBL3744470 0.89 CA2 (0.59) ALDH1A1CA12CA1CA2CA3
SCHEMBL3744466 0.89 CA2 (0.59) ALDH1A1CA12CA1CA2CA3
SCHEMBL13062073 0.86 CA12 (0.54) ALDH1A1CA12CA1CA2CA3
SCHEMBL13062128 0.79 CA12 (0.49) ALDH1A1CA12CA1CA2CA3
SCHEMBL13062329 0.78 TSHR (0.51) ALDH1A1CA12CA1CA2CA3
SCHEMBL13078002 0.78 CA12 (0.46) ALDH1A1CA12CA1CA2CA3
SCHEMBL13062080 0.78 CA12 (0.50) ALDH1A1CA12CA1CA2CA3
SCHEMBL13078236 0.77 CA2 (0.49) CA12CA1CA2CA3CA4
SCHEMBL13062408 0.77 CA2 (0.55) ALDH1A1CA12CA1CA2CA3
SCHEMBL13078158 0.76 CA2 (0.47) CA12CA1CA2CA3CA4

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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 ALDH1A1 387/4885CA12 7/4885CA1 5/4885

“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.