SCHEMBL3962730

SCHEMBL3962730

[O]Cc1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
ADRB2 P07550 1/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.46
IGF1R P08069 5/20 0.45
BACE1 P56817 1/20 0.44
KMT2A Q03164 1/20 0.43
ELANE P08246 1/20 0.42
PKM P14618 1/20 0.42
NT5E P21589 1/20 0.41
FABP4 P15090 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL11893019 0.86 TLR7 (0.55) ADORA2AADORA1TLR7ADRB2MAPT
SCHEMBL31265529 0.84 ADORA2A (0.56) ADORA2AADORA1TLR7ADRB2MAPT
SCHEMBL3618520 0.84 ADORA2A (0.56) ADORA2AADORA1TLR7ADRB2MAPT
Hydrochloric Acid SCHEMBL3461991 0.83 ADORA2A (0.55) ADORA2AADORA1TLR7ADRB2MAPT
SCHEMBL19584409 0.83 ADORA2A (0.51) ADORA2AADORA1TLR7ADRB2MAPT
SCHEMBL31326858 0.81 TLR7 (0.50) ADORA2AADORA1TLR7ADRB2MAPT
Hydrochloric Acid SCHEMBL20815562 0.81 TLR7 (0.50) ADORA2AADORA1TLR7ADRB2MAPT
SCHEMBL31326856 0.81 TLR7 (0.50) ADORA2AADORA1TLR7ADRB2MAPT
SCHEMBL7693403 0.79 TLR7 (0.48) ADORA2AADORA1TLR7ADRB2MAPT
SCHEMBL14469360 0.79 ADORA2A (0.54) ADORA2AADORA1TLR7ADRB2MAPT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US claimed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
US-7015217-B2 Cyclic sulfone derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-21 US disclosed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
US-6884806-B2 Bicyclic lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-26 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-6455522-B1 ANTIINFLAMMATORY AGENTS; AGGRECANASE AND TUMOR NECROSIS FACTOR INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
WO-2002004416-A2 LACTAM METALLOPROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 WO disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
EP-1054877-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-11-29 EP disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
WO-1999041246-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-08-19 WO disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 ADORA2A 723/4885ADORA1 495/4885TLR7 2613/4885

“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.