SCHEMBL2313734

SCHEMBL2313734

CC1(C)OB(O)c2cc(NC(=O)c3cc(C(F)(F)F)ccc3Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.46
BTK Q06187 2/20 0.44
JAK3 P52333 1/20 0.44
CSF1R P07333 4/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
CYP2C9 P11712 1/20 0.43
BRAF P15056 1/20 0.43
EPHB4 P54760 1/20 0.43
PTK2 Q05397 1/20 0.43
MAPK14 Q16539 1/20 0.43
SMO Q99835 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL2311432 0.89 BTK (0.45) SMN1; SMN2BTKJAK3PDGFRBRXFP1
SCHEMBL2314903 0.89 JAK3 (0.49) JAK2JAK1TYK2SMN1; SMN2BTK
SCHEMBL2311479 0.87 JAK3 (0.49) SMN1; SMN2BTKJAK3CYP2C9RXFP1
SCHEMBL2312902 0.87 GPR27 (0.46) SMN1; SMN2BTKJAK3SMORXFP1
SCHEMBL2312595 0.85 PTGS1 (0.52) BTKJAK3RXFP1CA12CA1
SCHEMBL2311049 0.83 PKM (0.49) JAK2JAK1SMOKMT2A
SCHEMBL2312352 0.82 HDAC3 (0.49) BTKJAK3RXFP1CA12CA1
SCHEMBL12879257 0.82 KMT2A (0.56) SMN1; SMN2TSHRPPARGCYP2C9MEN1
SCHEMBL2313313 0.81 PTGS1 (0.58) BTKJAK3CSF1RBRAFMAPK14
SCHEMBL2312224 0.81 JAK3 (0.47) TYK2SMN1; SMN2BTKJAK3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2019-08-22 US disclosed
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2019-08-22 US disclosed
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2016-11-24 US disclosed
US-9440994-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
US-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2011019618-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-17 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 (4 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-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK2 2202/4885JAK1 3656/4885TYK2 2844/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK2 2202/4885JAK1 3656/4885TYK2 2844/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP JAK2 2202/4885JAK1 3656/4885TYK2 2844/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK2 2202/4885JAK1 3656/4885TYK2 2844/4885

“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.