Sugi Predict

Sugi Predict / Compounds / SCHEMBL476648

SCHEMBL476648

SCHEMBL476648

[CH2]c1cccc(C(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 3/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ HCAR1 Q9BXC0 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ CTSS P25774 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 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
SCHEMBL7601747 0.82 MPL (0.46) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL10589453 0.79 CA2 (0.44) ALDH1A1TDP1KIF11
SCHEMBL7670002 0.79 — —
SCHEMBL67468 0.77 ALDH1A1 (0.43) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL2036638 0.76 HSD11B1 (0.40) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL2811681 0.76 — —
SCHEMBL448487 0.75 HSD11B1 (0.47) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL29551965 0.75 HSD11B1 (0.47) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL543468 0.74 TAS2R14 (0.40) MPLALDH1A1POLBTDP1L3MBTL1
SCHEMBL1862435 0.74 P2RX7 (0.48) ALDH1A1POLBTDP1L3MBTL1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 — — EP claimed
CN-109678872-B Bisbenzylisoquinoline compound and preparation method and application thereof 山东师范大学 2020-09-29 — — CN claimed
CN-110577563-B Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2020-09-04 — — CN claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 — — EP claimed
CN-110577563-A Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2019-12-17 — — CN claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 — — WO claimed
CN-105505128-B Near-infrared light response self-repairing coating and preparation method thereof 南京工业大学 2018-05-08 — — CN claimed
WO-2017178511-A1 METHOD OF TREATMENT OF PARKINSONISM FUNDACIÓ CENTRE DE REGULACIÓ GENÒMICA (ES) 2017-10-19 — — WO claimed
EP-3231434-A1 METHOD OF TREATMENT OF PARKINSONISM Fundacio Centre de Regulacio Genomica (ES) 2017-10-18 — — EP claimed
CN-102459234-B Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD. (GB) 2014-10-15 — — CN claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 — — US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 — — WO claimed
WO-2007057571-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-24 — — WO claimed
US-20070082920-A1 NAD+-dependent DNA ligase inhibitors Ricerca Biosciences, LLC 2007-04-12 — — US claimed
EP-0923571-B1 TRISUBSTITUTED PYRIDINE COMPOUNDS FOR HERBICIDAL USE BASF AG (DE) 2003-06-18 — — EP claimed
US-6495540-B2 HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR BRISTOL - MYERS SQUIBB PHARMA COMPANY 2002-12-17 — — US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 — — EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 — — US claimed
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-24 — — US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 MPL 1375/4885IDO1 3253/4885TDO2 3964/4885
US-20070082920-A1 NAD+-dependent DNA ligase inhibitors LIG3, LIG1, NQO1 MPL 4569/4885IDO1 597/4885TDO2 527/4885
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BACE1, APP, APH1A MPL 4454/4885IDO1 2498/4885TDO2 3587/4885

“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.