Sugi Predict

Sugi Predict / Compounds / SCHEMBL1926441

SCHEMBL1926441

SCHEMBL1926441

Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.70
▸ GLA P06280 1/20 0.70
▸ POLB P06746 1/20 0.70
▸ GAA P10253 1/20 0.70
▸ S1PR1 P21453 4/20 0.45
▸ S1PR3 Q99500 3/20 0.45
▸ MAOA P21397 1/20 0.42
▸ PDE3B Q13370 2/20 0.42
▸ PDE3A Q14432 2/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ BACE1 P56817 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL29964278 0.90 GAA (0.79) TSHRGLAPOLBGAAS1PR1
SCHEMBL7868530 0.90 GAA (0.79) TSHRGLAPOLBGAAS1PR1
SCHEMBL24297388 0.88 GAA (0.76) TSHRGLAPOLBGAAS1PR1
SCHEMBL1011735 0.88 GAA (0.76) TSHRGLAPOLBGAAS1PR1
SCHEMBL3804592 0.87 TSHR (0.68) TSHRGLAPOLBGAAMAOA
SCHEMBL27537618 0.86 GAA (0.73) TSHRGLAPOLBGAAS1PR1
Water SCHEMBL29003781 0.86 GAA (0.73) TSHRGLAPOLBGAAS1PR1
SCHEMBL29234440 0.86 GAA (0.53) TSHRGLAPOLBGAAS1PR1
SCHEMBL3789296 0.85 TSHR (0.53) TSHRGLAPOLBGAAMAOA
SCHEMBL29023298 0.84 TSHR (0.59) TSHRGLAPOLBGAAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106278898-B A kind of peptide condensation reagent 3 ', 5 '-bis trifluoromethyl biphenyl -3,5- iodosobenzen ediacetates and preparation method thereof 南开大学 2018-10-30 — — CN claimed
CN-106278898-A A kind of peptide condensation reagent 3 ', 5 '-bis trifluoromethyl biphenyl-3,5-iodosobenzen ediacetate and preparation method thereof 南开大学 2017-01-04 — — CN claimed
CN-1826121-B Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels SYNTA PHARMACEUTICALS CORP 2013-05-29 — — CN claimed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 — — CN claimed
CN-101947218-A The method of modulating calcium ion-release-activated calcium ion channels SYNTA PHARMACEUTICALS CORP 2011-01-19 — — CN claimed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN claimed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN claimed
CN-115298248-B Polyimide film having moisture absorption resistance and water absorption resistance 株式会社斗山 2024-03-08 — — CN disclosed
CN-116253879-A Transparent polyimide structure and preparation method thereof 太湖华强科技有限公司 2023-06-13 — — CN disclosed
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 — — US disclosed
CN-113387817-A Fluorine-containing aromatic diamine compound, preparation method thereof and colorless transparent polyimide film 中国科学院长春应用化学研究所 2021-09-14 — — CN disclosed
CN-106278898-B A kind of peptide condensation reagent 3 ', 5 '-bis trifluoromethyl biphenyl -3,5- iodosobenzen ediacetates and preparation method thereof 南开大学 2018-10-30 — — CN disclosed
CN-106278898-B A kind of peptide condensation reagent 3 ', 5 '-bis trifluoromethyl biphenyl -3,5- iodosobenzen ediacetates and preparation method thereof 南开大学 2018-10-30 — — CN disclosed
EP-1532138-A1 INHIBITORS OF TYROSINE KINASES Novartis AG (CH) 2005-05-25 — — EP disclosed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 — — US disclosed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 — — WO disclosed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 — — WO disclosed
WO-2004005281-A1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2004-01-15 — — WO disclosed
EP-0946528-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 — — EP disclosed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 — — 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 (2 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 TSHR 2535/4885GLA 1449/4885POLB 3196/4885
US-20050014724-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 TSHR 1572/4885GLA 3351/4885POLB 4839/4885

“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.