SCHEMBL17399991

SCHEMBL17399991

COC(=O)c1ccc2c(c1)-c1c(C)cc(OC3CCS(=O)(=O)CC3)cc1CCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
FFAR1 O14842 6/20 0.37
EPHX2 P34913 1/20 0.37
DRD4 P21917 1/20 0.37
ADRA1D P25100 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ATM Q13315 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL17417997 0.93 BRD4 (0.37) BRD4FFAR1EPHX2DRD4ADRA1D
SCHEMBL17385742 0.91 FFAR1 (0.39) BRD4FFAR1EPHX2DRD4ADRA1D
SCHEMBL17400012 0.85 ATM (0.38) BRD4FFAR1ALDH1A1ATMSMN1; SMN2
SCHEMBL17386007 0.85 FFAR1 (0.39) FFAR1EPHX2DRD4ADRA1DDRD3
SCHEMBL17386195 0.85 ALDH1A1 (0.40) EPHX2ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL17400124 0.84 CYP2C8 (0.40) BRD4FFAR1
SCHEMBL17385791 0.83 FFAR1 (0.39) FFAR1DRD4ADRA1DDRD3SMN1; SMN2
SCHEMBL17385741 0.83 ALDH1A1 (0.39) BRD4FFAR1EPHX2DRD4ADRA1D
SCHEMBL17386181 0.83 BRD4 (0.44) BRD4ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL17385837 0.82 HRH3 (0.37) FFAR1DRD4ADRA1DDRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US disclosed
EP-2963027-A1 TRICYCLIC COMPOUND AND USE THEREOF SK Chemicals Co., Ltd. (KR) 2016-01-06 EP 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-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF GPR65, GPR119, GPR35 BRD4 1490/4885FFAR1 22/4885EPHX2 2306/4885

“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.