SCHEMBL2269849

SCHEMBL2269849

CC(C)(C)NC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
HDAC1 Q13547 5/20 0.40
ACKR3 P25106 1/20 0.39
MCHR1 Q99705 4/20 0.39
KCNH2 Q12809 1/20 0.39
CXCR3 P49682 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR2C P28335 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
LMNA P02545 1/20 0.36
PHGDH O43175 1/20 0.36
WNT3A P56704 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL2222960 0.93 ACKR3 (0.44) CKS1BSKP1SKP2ACKR3CXCR3
SCHEMBL2268312 0.90 GAA (0.45) CKS1BSKP1SKP2ACKR3MCHR1
SCHEMBL2222289 0.89 F10 (0.42) ACKR3POLBLMNA
SCHEMBL2224894 0.86 IDH2 (0.46) ACKR3CXCR3LMNA
SCHEMBL2223364 0.86 CXCR3 (0.53) ACKR3KCNH2CXCR3MAPK1LMNA
SCHEMBL2223250 0.86 CACNA1I (0.45) KCNH2CXCR3
SCHEMBL2272108 0.85 CXCR3 (0.42) ACKR3CXCR3
SCHEMBL2273710 0.84 LMNA (0.44) CKS1BSKP1SKP2HDAC1LMNA
SCHEMBL2269804 0.82 GPR6 (0.43) CXCR3
SCHEMBL2223340 0.82 ABL1 (0.41) CXCR3WNT3A

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 5 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
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 CKS1B 1175/4885SKP1 3543/4885SKP2 2374/4885

“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.