SCHEMBL3699294

SCHEMBL3699294

C[C@@H]([CH]c1nc(C(F)(F)F)cs1)CC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.36
CTSK P43235 1/20 0.31
PTGES O14684 2/20 0.31
HDAC4 P56524 1/20 0.31
MEF2D Q14814 1/20 0.31
LGMN Q99538 1/20 0.30
CDK8 P49336 1/20 0.30
CDK19 Q9BWU1 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL3710734 0.87 ATAD2 (0.35) FFAR2
SCHEMBL3699081 0.78 HTR2B (0.37)
SCHEMBL3710524 0.77 GABRA5 (0.31)
SCHEMBL3698383 0.73 MEN1 (0.45)
SCHEMBL1990265 0.70 LMNA (0.37) FFAR2
SCHEMBL2142650 0.69 MEN1 (0.59)
SCHEMBL2711942 0.68 MEN1 (0.38) FFAR2HDAC4MEF2D
SCHEMBL23528164 0.65 FFAR2 (0.38) FFAR2CTSK
SCHEMBL577680 0.65 CYP3A4 (0.39) FFAR2CTSKHDAC4MEF2DCDK8
SCHEMBL9927079 0.65 CTSK (0.44) FFAR2CTSKPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US claimed
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 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 (2 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-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 FFAR2 57/4885CTSK 2696/4885PTGES 1314/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 FFAR2 57/4885CTSK 2696/4885PTGES 1314/4885

“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.