SCHEMBL7042874

SCHEMBL7042874

CC(=O)NC(CC(=O)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1)c1ccccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
CTSA P10619 3/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 4/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
XDH P47989 1/20 0.33
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL7044868 0.80 LMNA (0.37) TSHRLMNAMAPTRXFP1XDH
SCHEMBL6467037 0.80 FAAH (0.36) CYP1A2CYP3A4TSHRLMNAMAPT
SCHEMBL7049306 0.78 DAGLA (0.44) POLBGAACYP1A2CYP3A4TSHR
SCHEMBL6466202 0.76 LMNA (0.36) POLBCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL6467443 0.76 FAAH (0.36) CNR2POLBGAALMNAMAPT
Hydrochloric Acid SCHEMBL6465937 0.75 FAAH (0.35) CYP1A2CYP3A4TSHRLMNAMAPT
SCHEMBL6464160 0.74 LMNA (0.39) CYP1A2CYP3A4TSHRLMNAMAPT
SCHEMBL7049043 0.73 MAPT (0.38) LMNAMAPTSMN1; SMN2
SCHEMBL7182965 0.72 KMT2A (0.36) TSHRLMNAMAPTRXFP1SMN1; SMN2
SCHEMBL7044969 0.71 HPGD (0.43) CYP1A2CYP3A4LMNAMAPTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CNR2 3892/4885CTSA 60/4885POLB 3957/4885

“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.