SCHEMBL6598977

SCHEMBL6598977

O=S(=O)(O)CCCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
EPHX2 P34913 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
TEAD3 Q99594 1/20 0.42
LTA4H P09960 1/20 0.42
CA7 P43166 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40

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
SCHEMBL4435889 0.98 MGLL (0.48) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL27032524 0.97 MGLL (0.47) MGLLTSHRL3MBTL1TDP1EPHX2
Hydrochloric Acid SCHEMBL28277924 0.97 MGLL (0.47) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL27032553 0.95 TSHR (0.45) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL7195587 0.95 TSHR (0.48) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL12077051 0.92 TSHR (0.45) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL27032244 0.92 TSHR (0.45) MGLLTSHRL3MBTL1TDP1EPHX2
SCHEMBL1623314 0.87 TSHR (0.52) MGLLTSHRL3MBTL1TDP1CA1
SCHEMBL14114296 0.85 CA1 (0.46) MGLLCA1CA2CA9LTA4H
SCHEMBL14114297 0.85 FFAR1 (0.45) MGLLL3MBTL1TDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS SERVIER LAB (FR) 2024-07-25 US disclosed
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC (CA) 2024-02-29 US disclosed
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO disclosed
WO-2008090060-A1 WETTABLE POLYESTER FIBERS AND FABRICS CIBA HOLDING INC. (CH) 2008-07-31 WO disclosed
US-20080176475-A1 Wettable polyester fibers and fabrics CIBA CORP. 2008-07-24 US disclosed
EP-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 EP disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 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 (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-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 MGLL 2556/4885TSHR 4797/4885L3MBTL1 2822/4885
US-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, PARK7, PINK1 MGLL 2078/4885TSHR 3780/4885L3MBTL1 606/4885

“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.