SCHEMBL16619915

SCHEMBL16619915

C=CCOc1ccc(C(F)(F)F)cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
AGER Q15109 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL17843547 0.79 IDO1 (0.41) GAATSHRHTTKMT2AMEN1
SCHEMBL14172733 0.78 ALDH1A1 (0.40) GAATSHRHTTKMT2AMEN1
SCHEMBL29469932 0.78 CYP1A2 (0.54) HTTKMT2AMEN1ALDH1A1HPGD
SCHEMBL24313892 0.78 CYP1A2 (0.54) HTTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4236099 0.77 ADRA2A (0.40) GAATSHRKMT2AHTR2AHTR2C
SCHEMBL6305693 0.77 MEN1 (0.40) GAATSHRHTTKMT2AMEN1
SCHEMBL15329658 0.77 KMT2A (0.40) GAATSHRHTTKMT2AMEN1
SCHEMBL28613055 0.77 ALDH1A1 (0.36) GAATSHRHTTKMT2AMEN1
SCHEMBL15109776 0.76 GAA (0.63) GAATSHRALDH1A1HPGDKDM4E
SCHEMBL23921705 0.75 GAA (0.58) GAATSHRHTTKMT2AMEN1

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
CN-110035993-A SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS 艾伯维公司 2019-07-19 CN disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 EP disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 GAA 127/4885TSHR 3989/4885HTT 2686/4885

“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.