Sugi Predict

Sugi Predict / Compounds / SCHEMBL2844790

SCHEMBL2844790

SCHEMBL2844790

NC(=O)OCCS(=O)(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.56
▸ F2 P00734 2/20 0.45
▸ PRSS1 P07477 2/20 0.45
▸ PRSS2 P07478 2/20 0.45
▸ PRSS3 P35030 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CA1 P00915 5/20 0.44
▸ CA2 P00918 5/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL28621747 0.84 KMT2A (0.40) LMNAKDM4ECA1CA2CA9
SCHEMBL6062862 0.77 KMT2A (0.53) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL26025885 0.77 POLB (0.47) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL10724649 0.76 POLB (0.40) ALDH1A1POLBKMT2AMEN1HTT
SCHEMBL10724642 0.76 KMT2A (0.43) ALDH1A1CA1CA2CA9CA5A
SCHEMBL787249 0.76 LMNA (0.54) LMNAKDM4ECA1CA2CA9
SCHEMBL14387735 0.75 LMNA (0.44) LMNACA2
Phenylethyl Carbamate SCHEMBL111316 0.74 LMNA (0.79) LMNAALDH1A1CA1CA2CA9
SCHEMBL14039700 0.74 ITGB3 (0.50) F2PRSS1PRSS2PRSS3CA1
SCHEMBL3919977 0.73 ALDH1A1 (0.49) LMNAALDH1A1CA2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023168077-A1 PHENOL-BASED HOT MELT ADHESIVES FOR REWORK, REPAIR AND RECYCLE CONAGEN INC. (US) 2023-09-07 — — WO disclosed
CN-110234342-A Combination treatment 葛兰素史密斯克莱知识产权发展有限公司 2019-09-13 — — CN disclosed
CN-110225983-A Methods of treating cancer 葛兰素史密斯克莱知识产权发展有限公司 2019-09-10 — — CN disclosed
CN-108976272-A The disubstituted 19- norpregna hydride compounds of 3,3-, composition, and application thereof 萨奇治疗股份有限公司 2018-12-11 — — CN disclosed
EP-3407916-A2 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS Merck Sharp & Dohme Corp. (US) 2018-12-05 — — EP disclosed
EP-3394038-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH SPECIFIC CORTISTATIN DERIVATIVES President and Fellows of Harvard College (US) 2018-10-31 — — EP disclosed
US-10010535-B2 Desferrithiocin analogs and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-07-03 — — US disclosed
CN-107936076-A Neuroactive steroids, composition, and application thereof 萨奇治疗股份有限公司 2018-04-20 — — CN disclosed
CN-107915751-A Therapeutic compound and its purposes 卡拉制药公司 2018-04-17 — — CN disclosed
CN-103958540-B Neuroactive steroids, compositions, and uses thereof 萨奇治疗股份有限公司 2017-12-05 — — CN disclosed
US-9340786-B2 RNA interference in dermal and fibrotic indications RXI PHARMACEUTICALS CORPORATION (US) 2016-05-17 — — US disclosed
US-20150344513-A9 METHODS AND INTERMEDIATES FOR THE PREPARATION OF FONDAPARINUX ACADEMIA SINICA (TW) 2015-12-03 — — US disclosed
US-20150126721-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF FONDAPARINUX ACADEMIA SINICA (TW) 2015-05-07 — — US disclosed
US-20140309249-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) Dana-Farber Cancer Intitute, Inc. (US) 2014-10-16 — — US disclosed
US-20140113950-A1 INTERFERENCE IN DERMAL AND FIBROTIC INDICATIONS RXI PHARMACEUTICALS CORPORATION (US) 2014-04-24 — — US disclosed
US-8461204-B2 Cysteinyl compounds, compositions and methods of use SIGNUM BIOSCIENCES, INC. (US) 2013-06-11 — — US disclosed
US-20120328540-A1 Cysteinyl compounds, compositions and methods of use SIGNUM BIOSCIENCES, INC. (US) 2012-12-27 — — US disclosed
US-20100247461-A1 ANTI-INFLAMMATORY COMPLEXES SIGNUM BIOSCIENCES, INC. (US) 2010-09-30 — — US disclosed
CN-1882524-A 4- ((phenoxyalkyl) thio) -phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA NV (BE) 2006-12-20 — — CN disclosed
US-5530124-A Method for preparing cyclic ureas and their use for the synthesis of HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-25 — — 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 (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-20150344513-A9 METHODS AND INTERMEDIATES FOR THE PREPARATION OF FONDAPARINUX F2, TBXA2R, PROC LMNA 388/4885F2 1/4885PRSS1 668/4885
US-20150126721-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF FONDAPARINUX F2, TBXA2R, PROC LMNA 388/4885F2 1/4885PRSS1 668/4885
US-20120328540-A1 Cysteinyl compounds, compositions and methods of use CYSLTR1, CYSLTR2, CX3CR1 LMNA 4440/4885F2 524/4885PRSS1 317/4885
US-20140309249-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 LMNA 525/4885F2 3179/4885PRSS1 2166/4885
US-20100247461-A1 ANTI-INFLAMMATORY COMPLEXES SSB, NFKBIA, FABP1 LMNA 2038/4885F2 70/4885PRSS1 2455/4885
US-10010535-B2 Desferrithiocin analogs and uses thereof FECH, TFRC, FTH1 LMNA 1905/4885F2 407/4885PRSS1 1101/4885

“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.