SCHEMBL19627487

SCHEMBL19627487

O=C(Nc1cc(F)c(F)c(Cl)c1)c1cc(S(=O)(=O)N2CCC(O)(c3ccccc3)CC2)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.49
LPAR1 Q92633 3/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KCNH2 Q12809 2/20 0.48
CYP1A2 P05177 1/20 0.48
CCR1 P32246 4/20 0.47
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.43
HSD11B1 P28845 1/20 0.42

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
SCHEMBL15076611 0.94 CYP3A4 (0.53) ENPP2LPAR1CYP3A4CYP2D6CYP2C9
SCHEMBL15076740 0.85 MAPT (0.52) CCR1TP53LMNAMAPT
SCHEMBL15076548 0.85 LMNA (0.56) TP53LMNAMAPTHSD11B1
SCHEMBL15277080 0.84 ENPP2 (0.52) ENPP2LPAR1CYP3A4CYP2D6CYP2C9
SCHEMBL15277001 0.84 CYP3A4 (0.47) ENPP2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15076735 0.81 MAPT (0.53) ENPP2CCR1TP53LMNAMAPT
SCHEMBL15076549 0.81 LMNA (0.57) ENPP2LPAR1TP53LMNAMAPT
SCHEMBL15076352 0.81 LMNA (0.61) TP53LMNAMAPT
SCHEMBL15076751 0.80 CYP3A4 (0.73) ENPP2LPAR1CYP3A4CYP2D6CYP2C9
SCHEMBL15076811 0.80 CYP3A4 (0.58) ENPP2LPAR1CYP3A4CYP2D6CYP2C9

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-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 US disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 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-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 ENPP2 1342/4885LPAR1 1815/4885CYP3A4 1962/4885

“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.