SCHEMBL221645

SCHEMBL221645

COc1cc(OCCO[Si](C)(C)C(C)(C)C)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
CYP3A4 P08684 2/20 0.49
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
APP P05067 2/20 0.34
DHFR P00374 1/20 0.33
DUT P33316 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
SCHEMBL29502883 0.83 RAB9A (0.43) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL5467419 0.83 RAB9A (0.43) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL22382365 0.82 HSD17B10 (0.38) ALDH1A1CYP3A4HSD17B10CASP1CASP7
SCHEMBL12467087 0.81 PARP15 (0.51) ALDH1A1MAPTTHRBHTT
SCHEMBL5469399 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1CASP1CASP7
SCHEMBL5473053 0.80 ALDH1A1 (0.36) ALDH1A1HSD17B10CASP1CASP7THRB
SCHEMBL30342993 0.79 ALDH1A1 (0.43) ALDH1A1TDP1MAPTTHRB
SCHEMBL5466698 0.79 DRD4 (0.45) ALDH1A1HSD17B10TSHRCASP1CASP7
SCHEMBL14239879 0.79 ALDH1A1 (0.61) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL221664 0.78 KMT2A (0.48) ALDH1A1TDP1MAPK1MEN1MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
US-8217044-B2 Spiroindolinone pyrrolidines HOFFMANN-LA ROCHE INC. (US) 2012-07-10 US disclosed
US-8217044-B2 Spiroindolinone pyrrolidines HOFFMANN-LA ROCHE INC. (US) 2012-07-10 US disclosed
WO-2012038307-A1 SPIRO SUBSTITUTED PYRROLO[1,2-C]IMIDAZOLE DERIVATIVES USEFUL AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-03-29 WO disclosed
US-20120071499-A1 Substituted Spiro[3H-Indole-3,6'(5'H)-[1H]Pyrrolo[1,2c]Imidazole-1',2(1H,2'H)-diones CHU XIN-JIE (US) 2012-03-22 US disclosed
US-20120071499-A1 Substituted Spiro[3H-Indole-3,6'(5'H)-[1H]Pyrrolo[1,2c]Imidazole-1',2(1H,2'H)-diones CHU XIN-JIE (US) 2012-03-22 US disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 US disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 US disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2011134925-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 WO disclosed
US-20110269809-A1 SPIROINDOLINONE PYRROLIDINES HOFFMANN-LA ROCHE INC. 2011-11-03 US disclosed
US-20110269809-A1 SPIROINDOLINONE PYRROLIDINES HOFFMANN-LA ROCHE INC. 2011-11-03 US disclosed
WO-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 US disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 US disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 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 (4 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-20120071499-A1 Substituted Spiro[3H-Indole-3,6'(5'H)-[1H]Pyrrolo[1,2c]Imidazole-1',2(1H,2'H)-diones IDO1, IDH3A, H1-3 ALDH1A1 261/4885CYP3A4 1018/4885HSD17B10 2329/4885
US-20110269809-A1 SPIROINDOLINONE PYRROLIDINES RB1, KRAS, PKD1 ALDH1A1 303/4885CYP3A4 1124/4885HSD17B10 2003/4885
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X ALDH1A1 416/4885CYP3A4 1135/4885HSD17B10 2000/4885
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 ALDH1A1 1065/4885CYP3A4 844/4885HSD17B10 3214/4885

“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.