SCHEMBL3422658

SCHEMBL3422658

O=C(O)Cc1cc2ccc(C(F)(F)F)cc2[nH]1.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.46
MPL P40238 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PDE5A O76074 1/20 0.40
PDE9A O76083 1/20 0.40
P2RY14 Q15391 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
METAP2 P50579 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
Lithium Ion SCHEMBL3422654 0.84 NR3C1 (0.40) PTGDR2MPLNR3C1PGRNR3C2
SCHEMBL23932536 0.80 METAP2 (0.45) MPLNR3C1PGRNR3C2METAP2
SCHEMBL11192809 0.78 DAO (0.50) PTGDR2NR3C1PGRNR3C2ALDH1A1
SCHEMBL31381369 0.78 DAO (0.50) PTGDR2NR3C1PGRNR3C2ALDH1A1
SCHEMBL3643672 0.78 HPGD (0.54) MPLP2RY14METAP2MEN1ALDH1A1
SCHEMBL27904158 0.76 FLT3 (0.53) MPLP2RY14METAP2
SCHEMBL24380299 0.76 KIF11 (0.45) NR3C1PGRNR3C2METAP2MEN1
SCHEMBL5694475 0.75 GPR17 (0.44) GPR17EGLN1
SCHEMBL16240111 0.75 DAO (0.50) MPLMEN1ALDH1A1HPGDKMT2A
SCHEMBL5694483 0.75 CASP3 (0.54) ALDH1A1HPGDKMT2A

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 PTGDR2 254/4885MPL 2339/4885NR3C1 191/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 PTGDR2 212/4885MPL 2116/4885NR3C1 215/4885

“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.