SCHEMBL3736629

SCHEMBL3736629

CC(C)(C)c1cc(B(O)O)ccc1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
CA2 P00918 5/20 0.35
CA1 P00915 4/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ALDH1A1 P00352 5/20 0.35
TRPV1 Q8NER1 3/20 0.35
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 2/20 0.33
HIF1A Q16665 1/20 0.33
LDHA P00338 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ATP2A2 P16615 1/20 0.33

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
SCHEMBL17292018 0.79 MAPT (0.41) ENPP2ALDH1A1TRPV1KDM4EMAPT
SCHEMBL2558539 0.79 PDIA6 (0.47) ENPP2CA2CA1CA7ALDH1A1
SCHEMBL1479996 0.77 ALDH1A1 (0.59) CA2CA1CA12CA9ALDH1A1
SCHEMBL26493748 0.75 CA2 (0.41) ENPP2CA2CA1ALDH1A1TRPV1
SCHEMBL26613496 0.75 CA2 (0.41) ENPP2CA2CA1CA12CA9
SCHEMBL14485045 0.75 ACHE (0.39) ENPP2CA2CA1CA12CA9
SCHEMBL2408402 0.74 L3MBTL1 (0.46) CA2CA1CA12CA9CA4
SCHEMBL8169096 0.74 ALDH1A1 (0.45) CA2CA1CA12CA9CA6
SCHEMBL3784625 0.74 ENPP2 (0.41) ENPP2CA2CA1ALDH1A1TRPV1
SCHEMBL10906258 0.74 CA1 (0.49) CA2CA1CA12CA9ALDH1A1

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
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
EP-2176247-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Amgen Inc. (US) 2010-04-21 EP disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 WO 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-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 ENPP2 1828/4885CA2 135/4885CA1 715/4885

“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.