SCHEMBL4255993

SCHEMBL4255993

O=C(O)C(O)(c1c[nH]c2ccccc12)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
GPR84 Q9NQS5 1/20 0.45
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
ALDH1A1 P00352 2/20 0.42
PBRM1 Q86U86 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR4A2 P43354 1/20 0.41
ADAM17 P78536 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AHR P35869 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
SCHEMBL16675476 0.86 MAPK1 (0.49) MAPK1GPR84CTNNB1WNT3AALDH1A1
SCHEMBL2828189 0.80 MAPK1 (0.50) MAPK1GPR84CTNNB1WNT3AALDH1A1
SCHEMBL3583719 0.79 PKM (0.50) ALDH1A1ATMKDM4EMEN1MAPT
SCHEMBL27379245 0.79 MAPK1 (0.48) MAPK1GPR84CTNNB1WNT3AALDH1A1
SCHEMBL15245639 0.78 MAPK1 (0.47) MAPK1GPR84CTNNB1WNT3AALDH1A1
SCHEMBL5172407 0.78 PBRM1 (0.49) MAPK1GPR84CTNNB1WNT3AALDH1A1
SCHEMBL5174863 0.78 PBRM1 (0.49) MAPK1GPR84CTNNB1WNT3AALDH1A1
SCHEMBL17866728 0.76 PBRM1 (0.50) MAPK1GPR84ALDH1A1PBRM1ATM
SCHEMBL2831241 0.76 MAPK1 (0.46) MAPK1GPR84CTNNB1WNT3AALDH1A1
SCHEMBL6288556 0.74 PBRM1 (0.49) MAPK1GPR84ALDH1A1PBRM1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 EP disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS MAPK1 1172/4885GPR84 1530/4885CTNNB1 1437/4885

“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.