Sugi Predict

Sugi Predict / Compounds / SCHEMBL3857080

SCHEMBL3857080

SCHEMBL3857080

O=S(=O)(O)CCCNC1CCCCC1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.45
▸ CXCL12 P48061 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ HRH4 Q9H3N8 4/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ EPHX1 P07099 1/20 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
SCHEMBL37872 0.98 CXCR4 (0.46) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL21518374 0.98 CXCR4 (0.46) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL918578 0.98 CXCR4 (0.46) CXCR4CXCL12KMT2AHRH4HRH3
Ammonia Solution, Strong SCHEMBL4735488 0.96 CXCR4 (0.45) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL31100384 0.96 CXCR4 (0.45) CXCR4CXCL12KMT2AHRH4HRH3
Phosphine SCHEMBL28328787 0.96 CXCR4 (0.45) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL918520 0.96 CXCR4 (0.44) CXCR4CXCL12KMT2AHRH4HRH3
Phosphine SCHEMBL28327588 0.95 CXCR4 (0.44) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL21518399 0.94 CXCR4 (0.46) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL165817 0.94 CXCR4 (0.46) CXCR4CXCL12KMT2AHRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897424-A Aqueous polyurethane urea dispersions 科思创德国股份有限公司 2024-04-16 — — CN claimed
CN-115746252-A Aqueous polyurethane urea dispersions 科思创德国股份有限公司 2023-03-07 — — CN claimed
CN-102827390-A Polymer film for rapidly detecting mercury, preparation method and application thereof UNIV BEIJING CHEMICAL 2012-12-19 — — CN claimed
CN-102079809-B Organosilicon modified high functionality polyisocyanate and water-based preparation method thereof HUBEI DEBANG CHEMICAL NEW MATERIALS CO LTD 2012-10-31 — — CN claimed
CN-102079809-A Organosilicon modified high functionality polyisocyanate and water-based preparation method thereof HUBEI DEBANG CHEMICAL NEW MATERIALS CO LTD 2011-06-01 — — CN claimed
CN-117897424-A Aqueous polyurethane urea dispersions 科思创德国股份有限公司 2024-04-16 — — CN disclosed
US-20230127229-A1 MULTI-AZIRIDINE COMPOUND COVESTRO (NETHERLANDS) B.V. (NL) 2023-04-27 — — US disclosed
CN-115746252-A Aqueous polyurethane urea dispersions 科思创德国股份有限公司 2023-03-07 — — CN disclosed
US-20230054196-A1 MULTI-AZIRIDINE COMPOUND COVESTRO (NETHERLANDS) B.V. (NL) 2023-02-23 — — US disclosed
CN-115003719-A Polyaziridine compounds 科思创(荷兰)有限公司 2022-09-02 — — CN disclosed
CN-114945615-A Polyaziridine compounds 科思创(荷兰)有限公司 2022-08-26 — — CN disclosed
CN-114736351-A Blocked isocyanate curing agent, preparation method thereof and baking type coating 江苏富琪森新材料有限公司 2022-07-12 — — CN disclosed
US-20070026504-A1 METHOD FOR PRODUCING L-FUCULOSE AND METHOD FOR PRODUCING L-FUCOSE AJINOMOTO CO., INC. (JP) 2007-02-01 — — US disclosed
EP-1743943-A1 PROCESS FOR PRODUCING L-FUCULOSE AND PROCESS FOR PRODUCING L-FUCOSE Ajinomoto Co., Inc. (JP) 2007-01-17 — — EP disclosed
US-20010036654-A1 Canola acetyl-CoA carboxylase compositions and methods of use ARCH DEVELOPMENT CORPORATION (US) 2001-11-01 — — US disclosed
US-6177267-B1 AMINO ACID SEQUENCE OF ACETYL-COENZYME A CARBOXYLASE; FOR TRANSGENIC PLANTS WITH INCREASED OR DECREASED HERBICIDE RESISTANCE; FOR SCREENING SAMPLES FOR HERBICIDE RESISTANCE ARCH DEVELOPMENT CORP. 2001-01-23 — — US disclosed
US-5910626-A NUCLEIC ACIDS ENCODING POLYPEPTIDES PARTICIPATING IN THE CARBOXYLATION OF ACETYL-COA, E.G. A SUBUNIT, BIOTIN CARBOXYLASE CARRIER PROTEIN; HERBICIDE RESISTANCE; INCREASED OIL PRODUCTION IN PLANT TISSUE ARCH DEVELOPMENT CORPORATION (US) 1999-06-08 — — US disclosed
US-5801233-A DNA SEGMENTS AND CELLS FOR ACETYL COA CARBOXYLASE AND NUCLEIC ACID SEGMENTS ARCH DEVELOPMENT CORPORATION (US) 1998-09-01 — — US disclosed
EP-0820514-A2 ACETYL-CoA CARBOXYLASE COMPOSITIONS AND METHODS OF USE ARCH DEVELOPMENT CORPORATION (US) 1998-01-28 — — EP disclosed
WO-1996032484-A2 ACETYL-CoA CARBOXYLASE COMPOSITIONS AND METHODS OF USE ARCH DEVELOPMENT CORPORATION (US) 1996-10-17 — — 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 (2 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-20230127229-A1 MULTI-AZIRIDINE COMPOUND HRH3, QDPR, HRH4 CXCR4 1017/4885CXCL12 4200/4885KMT2A 974/4885
US-20230054196-A1 MULTI-AZIRIDINE COMPOUND HRH3, QDPR, HRH4 CXCR4 1204/4885CXCL12 4456/4885KMT2A 1179/4885

“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.