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Sugi Predict / Compounds / SCHEMBL2598240

SCHEMBL2598240

SCHEMBL2598240

COC(=O)[C@@H](C)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 4/20 0.41
▸ CA12 O43570 3/20 0.38
▸ CXCR2 P25025 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CXCR1 P25024 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ MME P08473 1/20 0.30

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
SCHEMBL2797628 1.00 CA14 (0.41) CA14CA12CXCR2SMN1; SMN2F2
SCHEMBL16584183 1.00 CA14 (0.41) CA14CA12CXCR2SMN1; SMN2F2
SCHEMBL22357729 0.82 CA14 (0.42) CA14CA12SMN1; SMN2KMT2AMEN1
SCHEMBL1924669 0.81 CXCR2 (0.35) CXCR2CXCR1
SCHEMBL1768213 0.81 CXCR2 (0.35) CXCR2CXCR1
SCHEMBL1768211 0.81 CXCR2 (0.35) CXCR2CXCR1
SCHEMBL324716 0.81 POLB (0.38) CXCR2SMN1; SMN2KMT2AMEN1
SCHEMBL1576184 0.81 CA14 (0.40) CA14CA12CXCR2SMN1; SMN2F2
SCHEMBL3761384 0.81 CA12 (0.36) CA14CA12CXCR2CXCR1
SCHEMBL324715 0.81 POLB (0.38) CXCR2SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114891003-A Novel dihydropyrimidine compounds, intermediates or salts, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2022-08-12 — — CN claimed
CN-114671875-A Novel dihydropyrimidine compound, isomer or salt, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2022-06-28 — — CN claimed
US-11730714-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2023-08-22 — — US disclosed
US-11608323-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-03-21 — — US disclosed
CN-114891003-A Novel dihydropyrimidine compounds, intermediates or salts, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2022-08-12 — — CN disclosed
CN-114671875-A Novel dihydropyrimidine compound, isomer or salt, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2022-06-28 — — CN disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 — — EP disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 — — US disclosed
WO-2019063704-A1 SUBSTITUTED 3-PHENYLQUINAZOLIN-4(3H)-ONES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2019-04-04 — — WO disclosed
US-20180099920-A1 COMPOUNDS FOR USE IN TREATING NEUROMUSCULAR DISORDERS NMD PHARMA APS (DK) 2018-04-12 — — US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 — — US disclosed
US-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 — — US disclosed
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 — — EP disclosed
CN-100490811-C Piperazine derivative used as CCRS antagonist SCHLING (US) 2009-05-27 — — CN disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 — — US disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 — — WO disclosed
CN-1636567-A Piperazine derivative used as CCRS antagonist SCHLING (US) 2005-07-13 — — CN disclosed
CN-1182114-C piperazine derivatives useful as CCR5 antagonists 先灵公司 2004-12-29 — — CN disclosed
CN-1450992-A piperazine derivatives useful as CCR5 antagonists SCHERING CORP (US) 2003-10-22 — — CN disclosed
EP-0234946-A2 New compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-09-02 — — EP 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 (6 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-11730714-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, RYR2 CA14 2532/4885CA12 2117/4885CXCR2 4325/4885
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel TRPA1, TRPV1, TRPV2 CA14 3982/4885CA12 3489/4885CXCR2 640/4885
US-20180099920-A1 COMPOUNDS FOR USE IN TREATING NEUROMUSCULAR DISORDERS CPT1B, CLCN2, TNNC1 CA14 3189/4885CA12 2212/4885CXCR2 3981/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 CA14 3982/4885CA12 3489/4885CXCR2 640/4885
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP CA14 4101/4885CA12 4167/4885CXCR2 4166/4885
US-11608323-B2 Herbicidal compounds DDT, RDX, CBR3 CA14 4018/4885CA12 4215/4885CXCR2 1377/4885

“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.