SCHEMBL3912829

SCHEMBL3912829

COC(=O)c1ccc(C2CCC2)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.58
NOTUM Q6P988 1/20 0.54
SLC9A1 P19634 10/20 0.48
CYP2C9 P11712 5/20 0.48
CYP2C19 P33261 4/20 0.48
CYP3A4 P08684 4/20 0.48
KCNH2 Q12809 1/20 0.48
ADRA1D P25100 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HTR2A P28223 1/20 0.47
SLC9A2 Q9UBY0 1/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
CFTR P13569 1/20 0.46
P4HB P07237 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
CYP2D6 P10635 1/20 0.44
PROKR1 Q8TCW9 1/20 0.44

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
SCHEMBL1918275 0.97 RBP4 (0.58) RBP4NOTUMSLC9A1CYP2C9CYP2C19
SCHEMBL1809088 0.96 RBP4 (0.57) RBP4NOTUMSLC9A1CYP2C9CYP2C19
SCHEMBL3902326 0.94 RBP4 (0.60) RBP4NOTUMSLC9A1CYP2C9CYP2C19
SCHEMBL3901933 0.89 NOTUM (0.57) RBP4NOTUMCYP2C19CYP3A4SLC6A3
SCHEMBL1763854 0.88 RBP4 (0.55) RBP4NOTUMSLC9A1CYP2C9CYP2C19
SCHEMBL22074046 0.88 RBP4 (0.55) RBP4NOTUMSLC9A1CYP2C9CYP2C19
SCHEMBL27195841 0.87 RBP4 (0.62) RBP4NOTUMSLC9A1CYP2C9CYP2C19
SCHEMBL3910589 0.86 NOTUM (0.57) RBP4NOTUMCYP2C19SLC6A3S1PR1
SCHEMBL1763555 0.85 SLC9A1 (0.67) RBP4SLC9A1CYP2C9CYP2C19CYP3A4
SCHEMBL22077259 0.83 RBP4 (0.50) RBP4NOTUMSLC9A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 US disclosed
EP-3892616-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2020114477-A1 COMPOUND ACTING AS IMMUNOMODULATOR, PREPARATION METHOD THEREFOR AND USES THEREOF 上海济煜医药科技有限公司 2020-06-11 WO disclosed
WO-2020114475-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE 上海济煜医药科技有限公司 2020-06-11 WO 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
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 (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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 RBP4 4525/4885NOTUM 2224/4885SLC9A1 1588/4885
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 RBP4 2503/4885NOTUM 3859/4885SLC9A1 2337/4885

“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.