SCHEMBL2265078

SCHEMBL2265078

CC(C)(C)NC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.45
IDH2 P48735 4/20 0.41
SCN10A Q9Y5Y9 5/20 0.40
BRAF P15056 3/20 0.40
RAF1 P04049 2/20 0.40
USP30 Q70CQ3 1/20 0.38
ANO1 Q5XXA6 2/20 0.38
DDR1 Q08345 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CXCR3 P49682 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2269804 0.91 GPR6 (0.43) ANO1CXCR3
SCHEMBL2224894 0.88 IDH2 (0.46) ACKR3IDH2SCN10ABRAFRAF1
SCHEMBL2272108 0.85 CXCR3 (0.42) ACKR3IDH2SCN10ACXCR3MEN1
SCHEMBL2222960 0.84 ACKR3 (0.44) ACKR3IDH2SCN10APTGS1PTGS2
SCHEMBL2223250 0.83 CACNA1I (0.45) SCN10ACXCR3ALDH1A1
SCHEMBL2223364 0.82 CXCR3 (0.53) ACKR3IDH2CXCR3MEN1LMNA
SCHEMBL2222289 0.81 F10 (0.42) ACKR3MEN1ALDH1A1LMNAKMT2A
SCHEMBL2269849 0.81 CKS1B (0.42) ACKR3USP30CXCR3LMNA
SCHEMBL2223340 0.81 ABL1 (0.41) CXCR3ALDH1A1
SCHEMBL2268312 0.80 GAA (0.45) ACKR3CXCR3MEN1ALDH1A1KMT2A

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
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 ACKR3 8/4885IDH2 2732/4885SCN10A 1202/4885

“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.