SCHEMBL3898700

SCHEMBL3898700

OCc1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.47
S1PR1 P21453 8/20 0.47
KIF11 P52732 1/20 0.47
RORC P51449 1/20 0.46
GBA1 P04062 2/20 0.43
LCT P09848 2/20 0.43
UGCG Q16739 2/20 0.43
GBA2 Q9HCG7 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
SLC13A5 Q86YT5 1/20 0.42
S1PR3 Q99500 1/20 0.42
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41

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
SCHEMBL2324650 0.86 KIF11 (0.51) PDK2S1PR1KIF11NR1H2NR1H3
SCHEMBL7368161 0.84 RORC (0.48) PDK2S1PR1RORCGBA1LCT
SCHEMBL6673882 0.84 CSNK2A1 (0.57) S1PR1RORCGBA1LCTUGCG
SCHEMBL6059772 0.84 KIF11 (0.50) PDK2S1PR1KIF11RORC
SCHEMBL21753831 0.83 PSEN1 (0.60) S1PR1RORCSLC13A5S1PR3
SCHEMBL13598440 0.83 PRKCI (0.49) PDK2S1PR1KIF11RORCS1PR3
SCHEMBL30129226 0.82 MEN1 (0.43) PDK2S1PR1MMP2
SCHEMBL7703690 0.81 S1PR1 (0.44) S1PR1RORCGBA1LCTUGCG
SCHEMBL27942311 0.81 RORC (0.44) S1PR1RORCGBA1LCTUGCG
Methyl Alcohol SCHEMBL3902225 0.81 RORC (0.44) S1PR1RORCGBA1LCTUGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728170-A Compounds active on nuclear receptors 纽韦卢森公司 2022-07-08 CN disclosed
US-10959984-B2 Methods for treating cancer with RORγ inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-30 US disclosed
US-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-29 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
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 (3 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-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS RORB, RORA, RORC PDK2 2452/4885S1PR1 1761/4885KIF11 2007/4885
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 PDK2 1823/4885S1PR1 3/4885KIF11 3302/4885
US-10959984-B2 Methods for treating cancer with RORγ inhibitors RORB, RORC, RORA PDK2 2436/4885S1PR1 1096/4885KIF11 2262/4885

“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.