SCHEMBL3898756

SCHEMBL3898756

CC(C)(C)OC(=O)N1CCc2cc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.58
NOTUM Q6P988 2/20 0.48
RXRA P19793 7/20 0.44
NR1H2 P55055 7/20 0.44
NR1H3 Q13133 5/20 0.44
EPHX2 P34913 1/20 0.42
TRIM24 O15164 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 1/20 0.40
GHSR Q92847 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3900303 0.87 NR1H2 (0.46) SRD5A1RXRANR1H2NR1H3TRIM24
SCHEMBL3905080 0.87 SRD5A1 (0.44) SRD5A1EPHX2TRIM24GPR119GHSR
SCHEMBL3913909 0.85 SRD5A1 (0.43) SRD5A1RXRANR1H2NR1H3EPHX2
SCHEMBL3907882 0.84 TACR1 (0.48) SRD5A1NOTUMTRIM24GPR119GHSR
SCHEMBL3900759 0.83 S1PR1 (0.48) SRD5A1EPHX2TRIM24GPR119GHSR
SCHEMBL13598255 0.83 SRD5A1 (0.49) SRD5A1NOTUMRXRANR1H2NR1H3
SCHEMBL3903504 0.83 SRD5A1 (0.49) SRD5A1NOTUMRXRANR1H2NR1H3
SCHEMBL3898860 0.83 SRD5A1 (0.49) SRD5A1NOTUMRXRANR1H2NR1H3
SCHEMBL3905018 0.83 POLB (0.44) SRD5A1NOTUMGPR119HTR2AHTR2C
SCHEMBL3903499 0.82 SRD5A1 (0.48) SRD5A1NOTUMRXRANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 SRD5A1 689/4885NOTUM 2224/4885RXRA 1301/4885

“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.