Sugi Predict

Sugi Predict / Compounds / SCHEMBL627581

SCHEMBL627581

SCHEMBL627581

NC(=O)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.62
▸ CES2 O00748 2/20 0.50
▸ PARP1 P09874 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ ACP1 P24666 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ DDR1 Q08345 2/20 0.40
▸ CTSL P07711 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ ATF1 P18846 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ TMPRSS4 Q9NRS4 1/20 0.38
▸ MAOB P27338 2/20 0.37

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
SCHEMBL31144857 1.00 NOTUM (0.62) NOTUMCES2PARP1GAAACP1
SCHEMBL627995 0.86 CES2 (0.67) NOTUMCES2GAADHODHATF1
SCHEMBL27856957 0.85 NOTUM (0.62) NOTUMCES2GAAACP1DDR1
SCHEMBL979130 0.85 NOTUM (0.62) NOTUMCES2GAAACP1DDR1
Hydrochloric Acid SCHEMBL4372326 0.84 CES2 (0.64) NOTUMCES2GAADHODHATF1
Hydrochloric Acid SCHEMBL4027010 0.84 CES2 (0.64) NOTUMCES2GAADHODHATF1
SCHEMBL494019 0.82 NOTUM (0.64) NOTUMCES2ACP1DDR1TAS2R14
SCHEMBL25160026 0.81 PARP1 (0.46) NOTUMPARP1DHODHHDAC3HDAC8
SCHEMBL1198001 0.81 NOTUM (0.53) NOTUMCES2GAAACP1DDR1
SCHEMBL477562 0.81 NOTUM (0.62) NOTUMCES2GAAACP1DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 — — WO disclosed
WO-2021069575-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2021-04-15 — — WO disclosed
EP-3013797-B1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE LTD (KY) 2018-01-03 — — EP disclosed
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 — — US disclosed
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 — — US disclosed
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 — — US disclosed
CN-104151256-B Disubstituted benzenes Carbox amide and synthetic method thereof and application 西安交通大学 2016-08-24 — — CN disclosed
US-20160159820-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (KY) 2016-06-09 — — US disclosed
EP-3013797-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BeiGene, Ltd. (KY) 2016-05-04 — — EP disclosed
CN-104311494-A m-(4-morpholinyl-2-quinazolinyl) benzamide compounds and synthetic method and application thereof UNIV XI AN JIAOTONG 2015-01-28 — — CN disclosed
CN-102056907-A Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 — — CN disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 — — EP disclosed
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 — — WO disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 — — US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 — — US disclosed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 — — WO disclosed
WO-2009123316-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-08 — — WO disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — 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 (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-20160159820-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BRAF, EGFR, ERBB2 NOTUM 2844/4885CES2 2188/4885PARP1 1773/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 NOTUM 4182/4885CES2 941/4885PARP1 4636/4885
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A NOTUM 2604/4885CES2 3259/4885PARP1 3943/4885

“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.