SCHEMBL1823870

SCHEMBL1823870

CCCc1nnc(Cc2cc(NC(=O)C(F)(F)F)ccc2S(=O)(=O)Cl)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPY5R Q15761 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL1825649 0.92 SMN1; SMN2 (0.40) SMN1; SMN2EPHX2NR1H4MTNR1BCYP1A2
SCHEMBL1823641 0.88 SMN1; SMN2 (0.45) SMN1; SMN2EPHX2NR1H4MTNR1BCYP1A2
SCHEMBL1818137 0.82 SMN1; SMN2 (0.42) SMN1; SMN2EPHX2NR1H4MTNR1BCYP1A2
SCHEMBL1846042 0.79 KDM4E (0.39) SMN1; SMN2EPHX2NR1H4MTNR1BCYP1A2
SCHEMBL1843154 0.79 CA1 (0.44) CA12CA1CA2CA9
SCHEMBL1817367 0.79 POLB (0.44) SMN1; SMN2EPHX2NR1H4MTNR1BCYP1A2
SCHEMBL1820493 0.78 CA12 (0.43) SMN1; SMN2EPHX2NR1H4MTNR1BCYP1A2
SCHEMBL15006369 0.77 CYP1A2 (0.42) SMN1; SMN2EPHX2NR1H4MTNR1BCYP1A2
SCHEMBL1819384 0.77 L3MBTL1 (0.44) SMN1; SMN2EPHX2NR1H4MTNR1BCYP1A2
SCHEMBL1823308 0.77 KMT2A (0.50) SMN1; SMN2KMT2ATP53NPC1RAB9A

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-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 — — US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 — — US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 — — 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD SMN1; SMN2 4069/4885EPHX2 3115/4885NR1H4 931/4885

“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.

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