SCHEMBL10030744

SCHEMBL10030744

COC(=O)COc1ccccc1OCC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 2/20 0.44
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
PAX8 Q06710 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
S1PR3 Q99500 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
SCHEMBL10506317 0.86 SMN1; SMN2 (0.60) SMN1; SMN2POLBHSD17B10LMNAALDH1A1
SCHEMBL8544348 0.84 USP2 (0.55) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL2350382 0.84 AR (0.57) ARLMNAALDH1A1MEN1KMT2A
SCHEMBL16272034 0.82 CYP1A2 (0.44) ARSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL12840659 0.81 L3MBTL1 (0.61) SMN1; SMN2POLBHSD17B10LMNAALDH1A1
SCHEMBL8088577 0.81 L3MBTL1 (0.44) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL15391794 0.81 SMN1; SMN2 (0.70) SMN1; SMN2POLBHSD17B10LMNAALDH1A1
SCHEMBL5317080 0.80 L3MBTL1 (0.68) SMN1; SMN2POLBHSD17B10LMNAALDH1A1
SCHEMBL13730248 0.79 SMN1; SMN2 (0.42) SMN1; SMN2POLBHSD17B10LMNAALDH1A1
SCHEMBL23912992 0.79 LTA4H (0.53) SMN1; SMN2LMNAKMT2AKDM4EHTT

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
EP-2475634-B1 PROCESS FOR THE PREPARATION OF INDOLINE DERIVATIVES AND THEIR INTERMEDIATES THEREOF SANDOZ AG (CH) 2017-05-24 EP disclosed
US-8471039-B2 Process for the preparation of indoline derivatives and their intermediates thereof SANDOZ AG (CH) 2013-06-25 US disclosed
US-8471039-B2 Process for the preparation of indoline derivatives and their intermediates thereof SANDOZ AG (CH) 2013-06-25 US disclosed
US-20120165548-A1 PROCESS FOR THE PREPARATION OF INDOLINE DERIVATIVES AND THEIR INTERMEDIATES THEREOF SANDOZ AG (IN) 2012-06-28 US disclosed
US-20120165548-A1 PROCESS FOR THE PREPARATION OF INDOLINE DERIVATIVES AND THEIR INTERMEDIATES THEREOF SANDOZ AG (IN) 2012-06-28 US 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-20120165548-A1 PROCESS FOR THE PREPARATION OF INDOLINE DERIVATIVES AND THEIR INTERMEDIATES THEREOF PIR, CYP3A4, CYP4A11 AR 1535/4885SMN1; SMN2 3141/4885POLB 2343/4885

“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.