SCHEMBL3889765

SCHEMBL3889765

Cc1cccc(C(F)(F)CO)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
GAA P10253 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
P2RX7 Q99572 2/20 0.37
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
HSD11B1 P28845 1/20 0.36
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CBLB Q13191 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL12817883 0.82 NOS3 (0.43) CCR1CCR8GAANOS3NOS2
SCHEMBL3888712 0.81 NOS3 (0.42) CCR1CCR8GAANOS3NOS2
SCHEMBL20909897 0.78 CCR1 (0.41) CCR1CCR8GAANOS3NOS2
SCHEMBL955807 0.77 CCR1 (0.48) CCR1CCR8GAANOS3NOS2
SCHEMBL129092 0.77 CCR1 (0.48) CCR1CCR8NOS3NOS2P2RX7
SCHEMBL29987876 0.77 PGK1 (0.36) P2RX7PGK1PGK2ALDH1A1HPGD
SCHEMBL3204903 0.77 PGK1 (0.36) P2RX7PGK1PGK2ALDH1A1HPGD
SCHEMBL21212134 0.77 ADRB1 (0.43) P2RX7PGK1PGK2CBLBADRB1
SCHEMBL20909878 0.75 CCR1 (0.46) CCR1CCR8GAANOS3NOS2
SCHEMBL20892192 0.75 CCR1 (0.46) CCR1CCR8GAANOS3NOS2

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-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
EP-1613319-B1 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2009-06-03 EP disclosed
EP-1613319-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. 2004-12-16 US disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 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-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors TFPI, F12, SPINT2 CCR1 2409/4885CCR8 3173/4885GAA 818/4885

“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.