Sugi Predict

Sugi Predict / Compounds / SCHEMBL2269698

SCHEMBL2269698

SCHEMBL2269698

CS(=O)(=O)c1cnc(N2CCC(CC(=O)NCc3ccccc3F)CC2)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.49
▸ MAPK1 P28482 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ TRPV1 Q8NER1 3/20 0.39
▸ F10 P00742 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL2271260 0.93 CXCR3 (0.48) CXCR3POLBTRPV1F10LMNA
SCHEMBL2269654 0.92 CXCR3 (0.48) CXCR3ALDH1A1TRPV1F10LMNA
SCHEMBL2271015 0.91 CXCR3 (0.47) CXCR3MAPK1ALDH1A1POLBF10
SCHEMBL2354024 0.91 CXCR3 (0.48) CXCR3TRPV1F10LMNASMN1; SMN2
SCHEMBL16448963 0.90 CXCR3 (0.47) CXCR3MAPK1ALDH1A1TRPV1F10
SCHEMBL2275511 0.90 CXCR3 (0.49) CXCR3ALDH1A1TRPV1LMNASMN1; SMN2
SCHEMBL2273750 0.89 CXCR3 (0.49) CXCR3POLBLMNASMN1; SMN2KMT2A
SCHEMBL2270311 0.89 CXCR3 (0.49) CXCR3TRPV1LMNASMN1; SMN2KMT2A
SCHEMBL2276600 0.88 CXCR3 (0.49) CXCR3LMNASMN1; SMN2KMT2AATM
SCHEMBL2221634 0.88 CXCR3 (0.52) CXCR3MAPK1ALDH1A1TSHRLMNA

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 1/4885MAPK1 2198/4885ALDH1A1 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.