Sugi Predict

Sugi Predict / Compounds / SCHEMBL4498141

SCHEMBL4498141

SCHEMBL4498141

O=C(OCCS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.43
▸ CXCR5 P32302 2/20 0.43
▸ APLNR P35414 2/20 0.43
▸ CCR6 P51684 2/20 0.43
▸ AGTR1 P30556 1/20 0.42
▸ AR P10275 1/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL4489584 0.87 AGTR1 (0.44) HSP90AA1CXCR5APLNRCCR6AGTR1
SCHEMBL4503359 0.85 AGTR1 (0.44) HSP90AA1CXCR5APLNRCCR6AGTR1
SCHEMBL4493011 0.82 AGTR1 (0.51) HSP90AA1CXCR5APLNRCCR6AGTR1
SCHEMBL4485761 0.81 HSP90AA1 (0.60) HSP90AA1CXCR5APLNRCCR6AGTR1
SCHEMBL4502723 0.78 PKM (0.47) HSP90AA1CXCR5APLNRCCR6AGTR1
SCHEMBL4505269 0.78 HSP90AA1 (0.45) HSP90AA1CXCR5APLNRCCR6AGTR1
SCHEMBL4490408 0.77 RAB9A (0.48) HSP90AA1CXCR5APLNRCCR6AGTR1
SCHEMBL4497374 0.77 POLB (0.43) HSP90AA1CXCR5APLNRCCR6AGTR1
SCHEMBL4502305 0.76 PKM (0.47) HSP90AA1CXCR5APLNRCCR6AGTR1
SCHEMBL4488114 0.75 RAB9A (0.46) HSP90AA1CXCR5APLNRCCR6AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 — — US disclosed
US-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 — — US disclosed
US-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 — — US disclosed
EP-1817303-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE Rigel Pharmaceuticals, Inc. (US) 2007-08-15 — — EP disclosed
US-20060178407-A1 Substituted pyridines and their uses RIGEL PHARMACEUTICAL, INC. (US) 2006-08-10 — — US disclosed
WO-2006050480-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE RIGEL PHARMACEUTICALS, INC. (US) 2006-05-11 — — 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-20060178407-A1 Substituted pyridines and their uses KIT, CPA3, CMA1 HSP90AA1 3864/4885CXCR5 93/4885APLNR 1574/4885

“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.