SCHEMBL1124259

SCHEMBL1124259

O=C(Cl)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.52
▸ ACR P10323 1/20 0.52
▸ PPARG P37231 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ CES2 O00748 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ TRPA1 O75762 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ FAAH O00519 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NR4A2 P43354 1/20 0.44

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
SCHEMBL11860150 0.85 PRSS1 (0.55) PRSS1ACRPPARGKDM4ECES2
SCHEMBL30116329 0.85 PRSS1 (0.55) PRSS1ACRPPARGKDM4ECES2
SCHEMBL11904756 0.85 PRSS1 (0.55) PRSS1ACRPPARGKDM4ECES2
SCHEMBL10798058 0.84 KMT2A (0.42) PRSS1ACRPPARGKDM4EATM
SCHEMBL18697300 0.84 PRSS1 (0.54) PRSS1ACRPPARGKDM4ECES2
SCHEMBL11848431 0.84 PPARG (0.54) PRSS1ACRPPARGKDM4ECES2
SCHEMBL11344203 0.83 PRSS1 (0.48) PRSS1ACRPPARGKDM4ECES2
SCHEMBL10732623 0.82 PRSS1 (0.52) PRSS1ACRPPARGKDM4ECES2
Hydrochloric Acid SCHEMBL11848416 0.82 PPARG (0.52) PRSS1ACRPPARGKDM4ECES2
SCHEMBL29920925 0.82 MEN1 (0.66) PRSS1ACRPPARGKDM4ECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107530349-B Xanthine substituted alkynyl carbamates/trans carbamates as A2B antagonists 路易斯和克拉克制药公司 2021-01-08 — — CN disclosed
EP-3280417-B1 XANTHINE-SUBSTITUTED ALKYNYL CARBAMATES/REVERSE CARBAMATES AS A2B ANTAGONISTS LEWIS AND CLARK PHARMACEUTICALS INC (US) 2020-07-29 — — EP disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
EP-2920171-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2018-08-29 — — EP disclosed
EP-3280417-A1 XANTHINE-SUBSTITUTED ALKYNYL CARBAMATES/REVERSE CARBAMATES AS A2B ANTAGONISTS Lewis and Clark Pharmaceuticals, Inc. (US) 2018-02-14 — — EP disclosed
US-9730940-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME (US) 2017-08-15 — — US disclosed
US-9730940-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME (US) 2017-08-15 — — US disclosed
US-9730940-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME (US) 2017-08-15 — — US disclosed
US-9593118-B2 Xanthine-substituted alkynyl carbamates/reverse carbamates as A2B antagonists LEWIS AND CLARK PHARMACEUTICALS, INC. (US) 2017-03-14 — — US disclosed
EP-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 — — EP disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 — — US disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 — — WO disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 — — US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 — — US disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 — — WO disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 — — WO disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 — — WO disclosed
US-20020052295-A1 Diacyl derivatives of propylene diamine having herbicidal activity MONSANTO TECHNOLOGY LLC 2002-05-02 — — US disclosed
WO-2001046152-A1 HERBICIDAL DIACYL DERIVATIVES OF PROPYLENE DIAMINE MONSANTO TECHNOLOGY LLC (US) 2001-06-28 — — WO disclosed
US-4618364-A 3-(2-tetrahydropyranyl)-1,2,3,4,5,6,7-hexahydro-1-p-tolyloxycarbonyl-5H-cyclopentapyrimidine-2,4-dione and herbicidal compositions and methods using it ROUSSEL UCLAF (FR) 1986-10-21 — — 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 (4 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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL PRSS1 102/4885ACR 1819/4885PPARG 184/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL PRSS1 88/4885ACR 1660/4885PPARG 293/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 PRSS1 1299/4885ACR 4368/4885PPARG 673/4885
US-20020052295-A1 Diacyl derivatives of propylene diamine having herbicidal activity DDT, SAT1, AOC1 PRSS1 4648/4885ACR 1124/4885PPARG 3347/4885

“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.

Send feedback