SCHEMBL10254652

SCHEMBL10254652

CC(C)C(=O)NS(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CA1 P00915 9/20 0.42
CA2 P00918 9/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA7 P43166 4/20 0.36
CA14 Q9ULX7 4/20 0.36
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.30

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
Hydrochloric Acid SCHEMBL10573956 0.78 CA1 (0.32) ALDH1A1CA1CA2CA9CA12
SCHEMBL28420215 0.76 ALDH1A1 (0.44) ALDH1A1CA1CA2CA9CA12
SCHEMBL4070679 0.76 NPSR1 (0.48) ALDH1A1CA1CA2CA9CA12
SCHEMBL24915652 0.74 ALDH1A1 (0.42) ALDH1A1CA1CA2CA9CA12
SCHEMBL23869332 0.74 ALDH1A1 (0.42) ALDH1A1CA1CA2CA9CA12
SCHEMBL84561 0.74 ALDH1A1 (0.42) ALDH1A1CA1CA2CA9CA12
SCHEMBL29764184 0.73 LARS1 (0.57) CA1CA2CA7CA14
SCHEMBL31091150 0.73 ALDH1A1 (0.43) ALDH1A1CA1CA2CA9CA12
SCHEMBL6697856 0.72 ALDH1A1 (0.41) ALDH1A1CA1CA2CA9CA12
SCHEMBL10154731 0.72 ALDH1A1 (0.41) ALDH1A1CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-10335409-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2019-07-02 US disclosed
US-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20160130300-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-05-12 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
US-8101596-B2 Loxapine analogs and methods of use thereof HYPNION INC. (US) 2012-01-24 US disclosed
US-7592333-B2 Loxapine analogs and methods of use thereof HYPNION, INC. (US) 2009-09-22 US disclosed
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF EDGAR DALE M 2009-07-23 US disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 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 (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-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 ALDH1A1 3412/4885CA1 4669/4885CA2 3132/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885CA1 2504/4885CA2 3687/4885
US-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, SLC10A2 ALDH1A1 984/4885CA1 1943/4885CA2 1722/4885
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF HCRTR2, HCRTR1, HTR3B ALDH1A1 1642/4885CA1 3242/4885CA2 3302/4885
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC ALDH1A1 200/4885CA1 3907/4885CA2 3915/4885
US-10335409-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885CA1 2504/4885CA2 3687/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN ALDH1A1 4035/4885CA1 4638/4885CA2 3111/4885
US-20160130300-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885CA1 2504/4885CA2 3687/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC ALDH1A1 200/4885CA1 3907/4885CA2 3915/4885

“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.