Sugi Predict

Sugi Predict / Compounds / SCHEMBL1963472

SCHEMBL1963472

SCHEMBL1963472

COc1cc2c3c(c4c(c2cc1OS(=O)(=O)C(F)(F)F)-c1ccccc1C4(C)C)C=CC(c1ccccc1)(c1ccc(N2CCN(c4ccccc4OC)CC2)cc1)O3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.35
▸ TSHR P16473 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ DRD4 P21917 4/20 0.33
▸ DRD3 P35462 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HRH2 P25021 3/20 0.33
▸ HRH1 P35367 3/20 0.33
▸ GFER P55789 2/20 0.33
▸ GAA P10253 3/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 2/20 0.31

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
SCHEMBL4572096 0.93 MAPT (0.34) DRD2GFERL3MBTL1MAPTMAPK1
SCHEMBL20527906 0.87 DRD2 (0.36) DRD2TSHRCYP1A2CYP3A4ADRA2B
SCHEMBL2200006 0.87 ACHE (0.35) DRD2TSHRADRA2BMEN1KMT2A
SCHEMBL1965737 0.86 ADRA1A (0.35) DRD2TSHRCYP1A2CYP3A4ADRA2B
SCHEMBL4568624 0.86 MAPT (0.36) GFERGAAL3MBTL1MAPTMAPK1
SCHEMBL2470883 0.86 DRD2 (0.39) DRD2TSHRCYP1A2CYP3A4ADRA2B
SCHEMBL2018673 0.85 DRD2 (0.32) DRD2TSHRCYP1A2CYP3A4ADRA2B
SCHEMBL29453309 0.84 STK10 (0.35) TSHRCYP1A2CYP3A4MEN1KMT2A
SCHEMBL1045266 0.84 STK10 (0.35) TSHRCYP1A2CYP3A4MEN1KMT2A
SCHEMBL2470994 0.84 DRD2 (0.33) DRD2TSHRCYP1A2CYP3A4ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370420-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-11-13 — — EP claimed
EP-2370420-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-05-22 — — EP claimed
US-8211338-B2 Photochromic compounds TRANSITIONS OPTICAL, INC (US) 2012-07-03 — — US claimed
EP-2370420-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2011-10-05 — — EP claimed
WO-2010065393-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2010-06-10 — — WO claimed
US-20090309076-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-17 — — US claimed
EP-2370420-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-11-13 — — EP disclosed
EP-2370420-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-05-22 — — EP disclosed
US-20180291008-A1 Photochromic Compounds TRANSITIONS OPTICAL, INC. 2018-10-11 — — US disclosed
US-20180291007-A1 Photochromic Compounds TRANSITIONS OPTICAL, INC. 2018-10-11 — — US disclosed
US-20180291009-A1 Photochromic Compounds TRANSITIONS OPTICAL, INC. 2018-10-11 — — US disclosed
US-10005763-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2018-06-26 — — US disclosed
US-10000472-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2018-06-19 — — US disclosed
US-20120200907-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-08-09 — — US disclosed
US-8211338-B2 Photochromic compounds TRANSITIONS OPTICAL, INC (US) 2012-07-03 — — US disclosed
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — WO disclosed
EP-2370420-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2011-10-05 — — EP disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 — — US disclosed
WO-2010065393-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2010-06-10 — — WO disclosed
US-20090309076-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-17 — — 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 (8 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-20180291007-A1 Photochromic Compounds CCR4, CCR8, CBR3 DRD2 180/4885TSHR 196/4885CYP1A2 655/4885
US-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 DRD2 3037/4885TSHR 3723/4885CYP1A2 70/4885
US-10005763-B2 Photochromic compounds CCR4, CCR8, CBR3 DRD2 172/4885TSHR 196/4885CYP1A2 648/4885
US-20180291008-A1 Photochromic Compounds CCR4, CBR3, CCR8 DRD2 163/4885TSHR 180/4885CYP1A2 634/4885
US-20180291009-A1 Photochromic Compounds CCR4, CCR8, CBR3 DRD2 182/4885TSHR 188/4885CYP1A2 678/4885
US-10000472-B2 Photochromic compounds CCR4, CCR8, CBR3 DRD2 172/4885TSHR 196/4885CYP1A2 648/4885
US-20120200907-A1 PHOTOCHROMIC COMPOUNDS CCR4, CCR8, CBR3 DRD2 166/4885TSHR 205/4885CYP1A2 648/4885
US-20090309076-A1 PHOTOCHROMIC COMPOUNDS CCR4, CCR8, CBR3 DRD2 172/4885TSHR 196/4885CYP1A2 648/4885

“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.