SCHEMBL3425277

SCHEMBL3425277

O=C(O)Cc1nc2cccc(C(F)(F)F)c2o1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ NR4A3 Q92570 1/20 0.41
▸ C1R P00736 1/20 0.41
▸ AKR1B1 P15121 7/20 0.40
▸ PTGS2 P35354 2/20 0.38
▸ ELANE P08246 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ GAA P10253 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
SCHEMBL3425661 0.82 SMN1; SMN2 (0.43) ELANEALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL23932555 0.79 ALDH1A1 (0.40) C1RELANEALDH1A1L3MBTL1MTNR1A
SCHEMBL30040097 0.79 ALDH1A1 (0.40) C1RELANEALDH1A1L3MBTL1MTNR1A
SCHEMBL102890 0.74 NPC1 (0.36) C1RELANEALDH1A1L3MBTL1MTNR1A
SCHEMBL6992565 0.71 ELANE (0.66) NR4A2NR4A1NR4A3C1RELANE
SCHEMBL3112570 0.70 NPC1 (0.61) NR4A2NR4A1NR4A3AKR1B1ALDH1A1
SCHEMBL22382316 0.70 C1R (0.41) C1RELANEALDH1A1L3MBTL1
SCHEMBL31614347 0.70 NPC1 (0.61) NR4A2NR4A1NR4A3AKR1B1ALDH1A1
SCHEMBL24820223 0.70 ELANE (0.43) C1RELANEALDH1A1L3MBTL1KMT2A
SCHEMBL30237719 0.70 BACE1 (0.45) C1RELANEALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 — — EP disclosed
US-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 — — US disclosed
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-7291615-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 — — US disclosed
EP-1620391-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-10-31 — — EP disclosed
EP-1620391-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-02-01 — — EP disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 — — US disclosed
WO-2004098516-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 — — 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 NR4A2 1283/4885NR4A1 673/4885NR4A3 1190/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 NR4A2 1227/4885NR4A1 741/4885NR4A3 1114/4885

“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.

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