SCHEMBL17417997

SCHEMBL17417997

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
EPHX2 P34913 3/20 0.37
ATM Q13315 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SRD5A1 P18405 2/20 0.33
SRD5A2 P31213 2/20 0.33
MAPK14 Q16539 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
FFAR1 O14842 2/20 0.32
PARP1 P09874 1/20 0.32
ESR1 P03372 1/20 0.32
PDK2 Q15119 1/20 0.32
DRD4 P21917 1/20 0.32
ADRA1D P25100 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL17399991 0.93 BRD4 (0.38) BRD4EPHX2ATMSMN1; SMN2ALDH1A1
SCHEMBL17385741 0.90 ALDH1A1 (0.39) BRD4EPHX2ALDH1A1FFAR1ESR1
SCHEMBL17385742 0.84 FFAR1 (0.39) BRD4EPHX2ALDH1A1FFAR1ESR1
SCHEMBL17400124 0.83 CYP2C8 (0.40) BRD4FFAR1
SCHEMBL17386181 0.82 BRD4 (0.44) BRD4ATMSMN1; SMN2ALDH1A1NPSR1
SCHEMBL17400012 0.79 ATM (0.38) BRD4ATMSMN1; SMN2ALDH1A1NPSR1
SCHEMBL17386007 0.78 FFAR1 (0.39) EPHX2SMN1; SMN2ALDH1A1MAPK14FFAR1
SCHEMBL17386195 0.78 ALDH1A1 (0.40) EPHX2ATMSMN1; SMN2ALDH1A1NPSR1
SCHEMBL205031 0.77 FFAR1 (0.45) EPHX2ALDH1A1FFAR1DRD4ADRA1D
SCHEMBL17429653 0.77 TDP1 (0.41) BRD4ATMSMN1; SMN2ALDH1A1NPSR1

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-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

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 1490/4885EPHX2 2306/4885ATM 4477/4885

“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.