SCHEMBL12424482

SCHEMBL12424482

CC1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
CYP19A1 P11511 1/20 0.52
HSD11B1 P28845 2/20 0.51
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPV4 Q9HBA0 11/20 0.49
MCOLN3 Q8TDD5 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL12384634 0.86 TRPV4 (0.49) CYP19A1HSD11B1TRPV4CYP3A4KCNH2
SCHEMBL5103723 0.84 CYP19A1 (0.56) TSHRHTTCYP19A1ALDH1A1TRPV4
SCHEMBL20003506 0.81 CYP19A1 (0.60) CYP19A1TRPV4CYP3A4KCNH2
SCHEMBL3333148 0.81 TSHR (0.50) TSHRCYP19A1ALDH1A1TRPV4CYP3A4
SCHEMBL13157386 0.79 TSHR (0.46) TSHRLMNAHPGDMAPK1HTT
SCHEMBL2959205 0.79 TRPV4 (0.50) CYP19A1HSD11B1TRPV4CYP3A4KCNH2
SCHEMBL13993549 0.79 MEN1 (0.69) LMNAHTTHSD11B1ALDH1A1MCOLN3
SCHEMBL693259 0.78 TSHR (0.51) TSHRLMNAHPGDMAPK1HTT
SCHEMBL15014519 0.77 ALDH1A1 (0.63) LMNAHTTHSD11B1ALDH1A1MCOLN3
SCHEMBL13108111 0.75 TSHR (0.44) TSHRLMNAHPGDMAPK1HTT

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 TSHR 1082/4885LMNA 1043/4885HPGD 223/4885

“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.