SCHEMBL16538121

SCHEMBL16538121

CC(C)CNC(=O)C(C)CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MLYCD O95822 2/20 0.42
MMP1 P03956 1/20 0.41
MMP8 P22894 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 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
SCHEMBL21514118 0.83 CYP2D6 (0.46) CYP2D6CYP2C19MLYCDMMP1MMP8
SCHEMBL30747967 0.78 PI4KB (0.34) MLYCDMMP1MMP8CTSSCTSK
SCHEMBL18011825 0.78 ALDH1A1 (0.35) LMNACTSSCTSKTDP1MAPT
SCHEMBL19183160 0.77 HIF1A (0.37) CTSSCTSKGAAALDH1A1PI4KB
SCHEMBL26319464 0.77 MLYCD (0.35) MLYCDMMP1MMP8LMNACTSS
SCHEMBL15257158 0.76 CYP2D6 (0.52) CYP2D6CYP2C19MLYCDMMP1MMP8
SCHEMBL9462919 0.76 CYP2D6 (0.52) CYP2D6CYP2C19MLYCDMMP1MMP8
SCHEMBL20805872 0.75 CYP2C19 (0.46) CYP2D6CYP2C19MLYCDMMP1MMP8
SCHEMBL12778328 0.73 CYP2D6 (0.54) CYP2D6CYP2C19MLYCDMMP1MMP8
SCHEMBL9462565 0.72 MAPK1 (0.49) CYP2D6CYP2C19MMP1MMP8HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
EP-3039020-B1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-07-19 EP disclosed
EP-3039020-B1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-07-19 EP disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
EP-3039020-A1 IDO INHIBITORS Bristol-Myers Squibb Company (US) 2016-07-06 EP disclosed
CN-105658643-A Ido inhibitors 百时美施贵宝公司 2016-06-08 CN disclosed
WO-2015031295-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 WO disclosed
WO-2015031295-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 WO 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-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT CYP2D6 844/4885CYP2C19 1582/4885MLYCD 629/4885

“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.