SCHEMBL17540485

SCHEMBL17540485

CC(C)NS(=O)(=O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
MMP12 P39900 1/20 0.36
ECE1 P42892 1/20 0.36
MMP13 P45452 1/20 0.36
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 4/20 0.33
S1PR1 P21453 1/20 0.33
CA2 P00918 1/20 0.33
BRPF1 P55201 1/20 0.33
PGAM1 P18669 1/20 0.33
CA9 Q16790 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL18234122 0.98 S1PR1 (0.34) CA1CA12CA7CA14MMP1
SCHEMBL13806350 0.93 ACACB (0.32) MMP1MMP7MMP12ECE1MMP13
SCHEMBL788518 0.90 ACACB (0.36) CA14S1PR1ACACB
SCHEMBL25537255 0.82 ACACB (0.33) CA12CA7CA14CA9ACACB
SCHEMBL31527920 0.81 EPHX1 (0.42) MMP1MMP7MMP12ECE1MMP13
SCHEMBL24367421 0.80 ACACB (0.32) S1PR1ACACBTSHREPHX2
SCHEMBL8486385 0.80 LMNA (0.45) TSHR
SCHEMBL21885949 0.80 ACACB (0.32) ACACB
SCHEMBL18390898 0.79 HTR2A (0.33) HTT
SCHEMBL2758999 0.77 NAMPT (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968127-A Animal food compositions with improved palatability and customizable properties and methods of making the same 玛氏公司 2025-05-09 CN disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO disclosed
US-10323061-B2 Heteroaryl containing bile acid analogs as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-06-18 US disclosed
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2019-05-16 US disclosed
EP-3428160-A1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2019-01-16 EP disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 US disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 US disclosed
US-20170240587-A1 HETEROARYL CONTAINING BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-08-24 US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
US-20160332993-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-17 US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 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 (9 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-20160332993-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRPF3 CA1 4575/4885CA12 4657/4885CA7 4436/4885
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV CA1 1838/4885CA12 2865/4885CA7 2935/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA CA1 1025/4885CA12 1192/4885CA7 662/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA CA1 1025/4885CA12 1192/4885CA7 662/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA CA1 1025/4885CA12 1192/4885CA7 662/4885
US-20170240587-A1 HETEROARYL CONTAINING BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 CA1 3328/4885CA12 4197/4885CA7 3024/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA CA1 1025/4885CA12 1192/4885CA7 662/4885
US-10323061-B2 Heteroaryl containing bile acid analogs as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 CA1 3328/4885CA12 4197/4885CA7 3024/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 CA1 3105/4885CA12 2106/4885CA7 2223/4885

“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.