Sugi Predict

Sugi Predict / Compounds / SCHEMBL6318596

SCHEMBL6318596

SCHEMBL6318596

CS(=O)(=O)OCCc1ccc2[nH]c(C(F)(F)F)c(C(=O)OCc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.41
▸ RAB9A P51151 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ STAT1 P42224 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MMP12 P39900 2/20 0.34

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
SCHEMBL6316385 0.87 GAA (0.49) ALOX5RAB9AKMT2ANPC1GAA
SCHEMBL6323806 0.85 ALOX5 (0.43) ALOX5RAB9AKMT2ANPC1GAA
SCHEMBL6315773 0.82 ALDH1A1 (0.48) ALOX5RAB9AKMT2ANPC1GAA
SCHEMBL6659460 0.76 GAA (0.39) ALOX5RAB9AKMT2ANPC1GAA
SCHEMBL6316946 0.74 GAA (0.42) ALOX5KMT2AGAAMAPTKDM4E
SCHEMBL6649651 0.73 CCR5 (0.36) ALOX5RAB9ANPC1GAAMAPK1
SCHEMBL6317032 0.73 GAA (0.54) ALOX5RAB9AKMT2ANPC1GAA
SCHEMBL6651182 0.73 DRD2 (0.44) ALOX5GAAKDM4EALDH1A1LMNA
SCHEMBL6654552 0.73 CHRM2 (0.36) ALOX5RAB9AKMT2ANPC1GAA
SCHEMBL6674111 0.73 GAA (0.48) ALOX5RAB9AKMT2ANPC1GAA

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
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 — — US disclosed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 — — US disclosed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 — — EP disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 — — US disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 — — 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 (2 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-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 ALOX5 812/4885RAB9A 2317/4885KMT2A 4021/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 ALOX5 666/4885RAB9A 2442/4885KMT2A 3935/4885

“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.