Sugi Predict

Sugi Predict / Compounds / SCHEMBL454098

SCHEMBL454098

SCHEMBL454098

CC(C)(C)OC(=O)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ MAPK1 P28482 2/20 0.45
▸ NTRK1 P04629 1/20 0.44
▸ NTRK2 Q16620 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 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
SCHEMBL5385127 0.85 CA12 (0.38) ALDH1A1TDP1L3MBTL1MAPK1NTRK1
SCHEMBL1424795 0.85 TDP1 (0.41) ALDH1A1TDP1L3MBTL1MAPK1NTRK1
SCHEMBL5374468 0.85 STAT3 (0.38) ALDH1A1TDP1L3MBTL1MAPK1NTRK1
SCHEMBL21094068 0.84 TDP1 (0.39) ALDH1A1TDP1L3MBTL1MAPK1NTRK1
SCHEMBL30047650 0.84 TDP1 (0.42) ALDH1A1TDP1L3MBTL1MAPK1NTRK1
SCHEMBL21702362 0.84 TDP1 (0.42) ALDH1A1TDP1L3MBTL1MAPK1NTRK1
SCHEMBL3705490 0.84 GABRA1 (0.37) NTRK1NTRK2GAA
SCHEMBL8342298 0.83 ELANE (0.48) ALDH1A1TDP1L3MBTL1MAPK1NTRK1
SCHEMBL19759804 0.83 ALDH1A1 (0.39) ALDH1A1TDP1L3MBTL1MAPK1NTRK1
SCHEMBL23873699 0.81 STAT3 (0.36) ALDH1A1TDP1L3MBTL1MAPK1NTRK1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339147-B2 Lactam compound as FXR receptor agonist CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-05-24 — — US disclosed
US-20200190074-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2020-06-18 — — US disclosed
EP-3632910-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-04-08 — — EP disclosed
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 — — US disclosed
WO-2014173921-A1 CARBOXAMIDES AS PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-30 — — WO disclosed
WO-2014173921-A1 CARBOXAMIDES AS PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-30 — — WO disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 — — EP disclosed
US-8598208-B2 Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-03 — — US disclosed
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 — — EP disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 — — US disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 — — EP disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 — — EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 — — WO disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 — — US disclosed
EP-2195311-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2010-06-16 — — EP disclosed
EP-2069335-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 — — EP disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 — — WO disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 — — 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 (5 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 ALDH1A1 2538/4885TDP1 1765/4885L3MBTL1 3238/4885
US-11339147-B2 Lactam compound as FXR receptor agonist NR1H4, GPBAR1, SLC10A1 ALDH1A1 2853/4885TDP1 4842/4885L3MBTL1 4818/4885
US-20200190074-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST NR1H4, GPBAR1, SLC10A1 ALDH1A1 2853/4885TDP1 4842/4885L3MBTL1 4818/4885
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents CD4, FCGRT, CD47 ALDH1A1 1077/4885TDP1 2913/4885L3MBTL1 3015/4885
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 ALDH1A1 1720/4885TDP1 716/4885L3MBTL1 4451/4885

“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.