SCHEMBL3370001

SCHEMBL3370001

O=C(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
MAOB P27338 1/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
ENPP2 Q13822 1/20 0.43
GRIN2B Q13224 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
HTT P42858 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MGLL Q99685 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL8323304 0.82 PTGDR2 (0.50) MAOBALDH1A1GRIN2BNTRK1NTRK2
SCHEMBL3372786 0.81 MAOB (0.46) MAOBKDM4ENTRK1NTRK2IDO1
SCHEMBL3423976 0.80 MAOB (0.46) MAOBKDM4ENTRK1NTRK2IDO1
SCHEMBL10896012 0.77 MAOB (0.46) HSD17B10MAOBALDH1A1KDM4EMAPT
Lithium Ion SCHEMBL3423977 0.76 MAOB (0.45) HSD17B10MAOBALDH1A1KDM4EMAPT
SCHEMBL10896019 0.76 IDO1 (0.42) MAOBKDM4ENTRK1NTRK2IDO1
SCHEMBL3818181 0.74 ALDH1A1 (0.67) ALDH1A1MAPK1L3MBTL1MAPTPPARG
SCHEMBL16176685 0.72 CACNA1H (0.51) HSD17B10ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4556153 0.72 TDP1 (0.47) MAOBKDM4ENTRK1NTRK2IDO1
SCHEMBL6310812 0.72 ALDH1A1 (0.63) MAOBALDH1A1MAPK1L3MBTL1MAPT

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 16 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
EP-1617803-B1 MALONAMIDES AND MALONAMIDE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-09-22 EP disclosed
US-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-7468440-B2 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-23 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
US-20070213379-A1 MALONAMIDES AND MALONAMIDE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7230133-B2 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-12 US disclosed
EP-1617803-A4 MALONAMIDES AND MALONAMIDE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-01-24 EP disclosed
EP-1620391-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-02-01 EP disclosed
EP-1617803-A2 MALONAMIDES AND MALONAMIDE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-01-25 EP disclosed
US-20040235835-A1 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
WO-2004098512-A2 MALONAMIDES AND MALONAMIDE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 WO 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 (4 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 HSD17B10 1807/4885MAOB 3170/4885ALDH1A1 1095/4885
US-20040235835-A1 Malonamides and malonamide derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 HSD17B10 1529/4885MAOB 4524/4885ALDH1A1 506/4885
US-20070213379-A1 MALONAMIDES AND MALONAMIDE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, MAL2 HSD17B10 1534/4885MAOB 4473/4885ALDH1A1 645/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 HSD17B10 1969/4885MAOB 3083/4885ALDH1A1 1345/4885

“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.