Sugi Predict

Sugi Predict / Compounds / SCHEMBL2269654

SCHEMBL2269654

SCHEMBL2269654

Cc1ccccc1CNC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.48
▸ P2RY12 Q9H244 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 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
SCHEMBL16448963 0.95 CXCR3 (0.47) CXCR3ALDH1A1F10LMNASMN1; SMN2
SCHEMBL2271260 0.93 CXCR3 (0.48) CXCR3F10LMNASMN1; SMN2ATM
SCHEMBL2269698 0.92 CXCR3 (0.49) CXCR3ALDH1A1F10LMNASMN1; SMN2
SCHEMBL2271015 0.91 CXCR3 (0.47) CXCR3ALDH1A1F10LMNAATM
SCHEMBL2354024 0.91 CXCR3 (0.48) CXCR3F10LMNASMN1; SMN2ATM
SCHEMBL2275511 0.90 CXCR3 (0.49) CXCR3ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL2276600 0.89 CXCR3 (0.49) CXCR3LMNASMN1; SMN2ATMKCNH2
SCHEMBL2277751 0.89 CXCR3 (0.51) CXCR3ALDH1A1LMNASMN1; SMN2CCNE1
SCHEMBL2221634 0.89 CXCR3 (0.52) CXCR3ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL2220538 0.88 CXCR3 (0.49) CXCR3ALDH1A1LMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 — — US claimed
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-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 — — US disclosed
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
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 — — 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 CXCR3 1/4885P2RY12 164/4885ALDH1A1 1792/4885

“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.