SCHEMBL8178100

SCHEMBL8178100

CC(C)c1ccc(Cn2c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c(CC(=O)O)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
CA2 P00918 6/20 0.47
CA1 P00915 5/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
PTGER4 P35408 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 2/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
POLB P06746 1/20 0.44
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
NR2F2 P24468 1/20 0.43
RORC P51449 1/20 0.43
FOLH1 Q04609 1/20 0.43

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
SCHEMBL8167328 0.89 MEN1 (0.52) PTGDR2PTGER4KMT2AMEN1ALDH1A1
SCHEMBL8179717 0.87 PTGER4 (0.49) PTGDR2PTGER4KMT2AMEN1PPARG
SCHEMBL8180889 0.86 S1PR3 (0.47) PTGDR2PTGER4KMT2AALDH1A1PPARG
SCHEMBL13952371 0.85 PTGER4 (0.48) PTGDR2PTGER4KMT2AMEN1ALDH1A1
SCHEMBL8175838 0.85 PTGER4 (0.47) PTGDR2PTGER4KMT2AMEN1SMN1; SMN2
SCHEMBL4261606 0.84 S1PR3 (0.52) PTGDR2PTGER4ALDH1A1PPARGTHRA
SCHEMBL8175849 0.82 PTGER4 (0.49) PTGDR2PTGER4ALDH1A1SMN1; SMN2PPARG
SCHEMBL8167666 0.82 POLB (0.58) PTGER4ALDH1A1PPARGTHRATHRB
SCHEMBL8171794 0.82 PTGDR2 (0.61) PTGDR2KMT2AMEN1ALDH1A1PPARG
SCHEMBL8165177 0.81 PPARG (0.47) PTGDR2PTGER4KMT2AMEN1ALDH1A1

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-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 PTGDR2 3932/4885CA2 4199/4885CA1 4392/4885

“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.