SCHEMBL810319

SCHEMBL810319

Cc1ccc(S(=O)(=O)NC2CCCCC2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
TSHR P16473 2/20 0.62
CYP3A4 P08684 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
MCOLN2 Q8IZK6 2/20 0.47
MCOLN3 Q8TDD5 2/20 0.47
MCOLN1 Q9GZU1 2/20 0.47
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL419813 1.00 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL6816353 1.00 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL987578 1.00 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
P-Xylene SCHEMBL5422459 0.98 ALDH1A1 (0.60) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
P-Xylene SCHEMBL5421280 0.98 ALDH1A1 (0.60) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL6055077 0.98 ALDH1A1 (0.60) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL3499611 0.97 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
Benzene SCHEMBL5180862 0.96 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
Hexamethylbenzene SCHEMBL5424696 0.96 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
Benzene SCHEMBL5181252 0.96 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856738-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2021-08-04 EP claimed
WO-2020064818-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2020-04-02 WO claimed
EP-2167505-B1 PREPARATION OF N-ALKYLATED OPIATES BY REDUCTIVE AMINATION MALLINCKRODT LLC (US) 2012-11-28 EP claimed
US-7985858-B2 Process for the preparation of 6-alpha-hydroxy-N-alkylated opiates MALLINCKRODT INC. (US) 2011-07-26 US claimed
EP-2152715-B1 IMPROVED PROCESS FOR THE PREPARATION OF 6-ALPHA-HYDROXY-N-ALKYLATED OPIATES MALLINCKRODT INC (US) 2010-12-29 EP claimed
EP-2167505-A1 PREPARATION OF N-ALKYLATED OPIATES BY REDUCTIVE AMINATION Mallinckrodt Inc. (US) 2010-03-31 EP claimed
US-20100041888-A1 Process for the Preparation of 6-Alpha-Hydroxy-N-Alkylated Opiates MALLINCKRODT ENTERPRISES LLC 2010-02-18 US claimed
EP-2152715-A1 IMPROVED PROCESS FOR THE PREPARATION OF 6-ALPHA-HYDROXY-N-ALKYLATED OPIATES Mallinckrodt Inc. (US) 2010-02-17 EP claimed
WO-2009012005-A1 PREPARATION OF N-ALKYLATED OPIATES BY REDUCTIVE AMINATION MALLINCKRODT INC. (US) 2009-01-22 WO claimed
WO-2008137672-A1 IMPROVED PROCESS FOR THE PREPARATION OF 6-ALPHA-HYDROXY-N-ALKYLATED OPIATES MALLINCKRODT INC. (US) 2008-11-13 WO claimed
CN-1550482-A Process for manufacture of trans-(R,R)-actinol DSM IP资产公司 2004-12-01 CN claimed
EP-0915076-B1 Process for the preparation of trans-(R,R)-actinol HOFFMANN LA ROCHE (CH) 2002-01-16 EP claimed
US-6187961-B1 HYDROGENATING (R)-LEVODIONE IN PRESENCE OF HYDROGEN DONAR AND A SOLVENT OR IN PRESENCE OF HYDROGEN DONOR WHICH SIMULTANEOUSLY USED AS THE SOLVENT, AND AN AMINO-AMIDE-RUTHENIUM COMPLEX ROCHE VITAMINS INC. 2001-02-13 US claimed
CN-1223998-A Process for producing trans- (R, R) -actinol HOFFMANN LA ROCHE (CH) 1999-07-28 CN claimed
EP-0915076-A1 Process for the preparation of trans-(R,R)-actinol F. HOFFMANN-LA ROCHE AG (CH) 1999-05-12 EP claimed
US-20230285945-A1 CATALYST CONTAINING ACTIVATED CARBON ADSORBED WITH RUTHENIUM COMPLEX, AND METHOD FOR PRODUCING REDUCTION PRODUCT USING SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-09-14 US disclosed
EP-4115975-A1 CATALYST CONTAINING ACTIVATED CARBON ON WHICH RUTHENIUM COMPLEX IS ADSORBED, AND METHOD FOR PRODUCING REDUCTION PRODUCT USING SAME Takasago International Corporation (JP) 2023-01-11 EP disclosed
EP-0915076-A1 Process for the preparation of trans-(R,R)-actinol F. HOFFMANN-LA ROCHE AG (CH) 1999-05-12 EP disclosed
US-3936471-A HYPOGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-03 US disclosed
US-3936471-A HYPOGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-03 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-20230285945-A1 CATALYST CONTAINING ACTIVATED CARBON ADSORBED WITH RUTHENIUM COMPLEX, AND METHOD FOR PRODUCING REDUCTION PRODUCT USING SAME RRS1, POR, SCO2 ALDH1A1 492/4885TSHR 4343/4885CYP3A4 59/4885
US-20100041888-A1 Process for the Preparation of 6-Alpha-Hydroxy-N-Alkylated Opiates OPRM1, OPRK1, OPRD1 ALDH1A1 449/4885TSHR 3294/4885CYP3A4 17/4885

“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.