SCHEMBL13610844

SCHEMBL13610844

CC(C)(C)NCCCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.55
PRMT1 Q99873 1/20 0.54
TSHR P16473 5/20 0.52
LMNA P02545 2/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
GPR84 Q9NQS5 8/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL16491136 1.00 ADRA1A (0.55) ADRA1APRMT1TSHRLMNANFKB1
SCHEMBL4806320 0.91 LMNA (0.46) ADRA1APRMT1TSHRLMNANFKB1
SCHEMBL16491130 0.87 EPHX2 (0.54) ADRA1APRMT1TSHRLMNAHDAC11
SCHEMBL24722306 0.83 PAOX (0.52) ADRA1APRMT1ALDH1A1
SCHEMBL22456219 0.82 ADRA1A (0.50) ADRA1APRMT1TSHRLMNANFKB1
SCHEMBL26303080 0.82 ADRA1A (0.37) ADRA1APRMT1TSHRLMNANFKB1
SCHEMBL1983625 0.81 LMNA (0.40) ADRA1ATSHRLMNASLC22A6PLA2G2A
SCHEMBL13884340 0.81 POLB (0.38) ADRA1APRMT1ALDH1A1MEN1KMT2A
SCHEMBL14433610 0.81 POLB (0.38) ADRA1APRMT1ALDH1A1MEN1KMT2A
SCHEMBL12664983 0.81 POLB (0.38) ADRA1APRMT1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11220486-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY (US) 2022-01-11 US disclosed
US-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY 2020-09-17 US disclosed
US-10626094-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 US disclosed
US-20170247340-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY 2017-08-31 US disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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 (7 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-11220486-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof ACP1, PTPRCAP, PTPA ADRA1A 4463/4885PRMT1 1459/4885TSHR 3240/4885
US-10626094-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof ACP1, PTPRCAP, PTPA ADRA1A 4463/4885PRMT1 1459/4885TSHR 3240/4885
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 ADRA1A 536/4885PRMT1 1246/4885TSHR 99/4885
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B ADRA1A 3879/4885PRMT1 848/4885TSHR 2940/4885
US-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof ACP1, PTPRCAP, PTPA ADRA1A 4463/4885PRMT1 1459/4885TSHR 3240/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B ADRA1A 3879/4885PRMT1 848/4885TSHR 2940/4885
US-20170247340-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof ACP1, PTPRCAP, PTPA ADRA1A 4463/4885PRMT1 1459/4885TSHR 3240/4885

“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.