SCHEMBL16733099

SCHEMBL16733099

COC(=O)C1CCC(C(O)CF)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 4/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
PPM1B O75688 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
SCHEMBL16733096 1.00 IDO1 (0.41) IDO1GAATP53SMN1; SMN2ALDH1A1
SCHEMBL10437819 0.82 IDO1 (0.41) IDO1GAATP53SMN1; SMN2ALDH1A1
SCHEMBL16943489 0.82 TP53 (0.39) IDO1GAATP53SMN1; SMN2ALDH1A1
SCHEMBL17803033 0.79 TP53 (0.44) IDO1GAATP53SMN1; SMN2ALDH1A1
SCHEMBL21702260 0.79 TP53 (0.44) IDO1GAATP53SMN1; SMN2ALDH1A1
SCHEMBL9550358 0.79 TP53 (0.44) IDO1GAATP53SMN1; SMN2ALDH1A1
SCHEMBL17803098 0.77 TP53 (0.43) IDO1GAATP53SMN1; SMN2ALDH1A1
SCHEMBL13896036 0.77 PLG (0.42) IDO1TP53
SCHEMBL9948592 0.77 TP53 (0.43) GAATP53SMN1; SMN2ALDH1A1CHRNB2
SCHEMBL2948892 0.76 TP53 (0.56) GAATP53SMN1; SMN2ALDH1A1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-9718840-B2 Condensed 5-oxazolidinone derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-01 US disclosed
US-20170022218-A1 CONDENSED 5-OXAZOLIDINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-01-26 US disclosed
EP-3095786-A1 CONDENSED 5-OXAZOLIDINONE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2016-11-23 EP disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
EP-2876105-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-05-27 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-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE RB1, F2, SFPQ IDO1 1797/4885GAA 3950/4885TP53 396/4885
US-20170022218-A1 CONDENSED 5-OXAZOLIDINONE DERIVATIVE F2, SERPINC1, F12 IDO1 2804/4885GAA 4585/4885TP53 3074/4885

“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.