SCHEMBL3709920

SCHEMBL3709920

CCNC(=S)NC[CH][C@H](C)CC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
ALOX12 P18054 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
KDM4A O75164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.30
ALPL P05186 1/20 0.30
HPGD P15428 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
SCHEMBL3698243 0.79 ALDH1A1 (0.42) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL3705803 0.76 EPHX2 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL80644 0.72
SCHEMBL3706724 0.71 MTNR1A (0.35) ALDH1A1KDM4E
SCHEMBL4272715 0.70
SCHEMBL11598205 0.67 ALDH1A1 (0.65) ALDH1A1CYP3A4MAPTGAAALOX12
SCHEMBL8167869 0.66 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPTGAAALOX12
SCHEMBL20529641 0.66 ALDH1A1 (0.62) ALDH1A1CYP3A4MAPTGAAALOX12
SCHEMBL20529642 0.66 ALDH1A1 (0.62) ALDH1A1CYP3A4MAPTGAAALOX12
SCHEMBL7726899 0.64

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
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 ALDH1A1 1733/4885CYP3A4 1753/4885MAPT 3996/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885CYP3A4 1753/4885MAPT 3996/4885

“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.