SCHEMBL8077317

SCHEMBL8077317

CC(C)C1CN(S(C)(=O)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CYP2D6 P10635 2/20 0.33
HCRTR2 O43614 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.32
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2C19 P33261 1/20 0.30
ACHE P22303 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
SCHEMBL20760334 0.84 TSHR (0.34) TSHRCYP2D6HCRTR2SMN1; SMN2MEN1
SCHEMBL10232851 0.82 TSHR (0.44) TSHRCYP2D6HCRTR2SMN1; SMN2MEN1
SCHEMBL12384515 0.82 TSHR (0.44) TSHRCYP2D6HCRTR2SMN1; SMN2MEN1
SCHEMBL13368879 0.82 TSHR (0.44) TSHRCYP2D6HCRTR2SMN1; SMN2MEN1
SCHEMBL14737225 0.81 TSHR (0.35) TSHRCYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL24267577 0.79 TSHR (0.53) TSHRHCRTR2SMN1; SMN2MEN1KMT2A
SCHEMBL10232845 0.79 TSHR (0.53) TSHRHCRTR2SMN1; SMN2MEN1KMT2A
SCHEMBL21025379 0.78 POLB (0.37) TSHRALDH1A1KDM4E
SCHEMBL17755705 0.78 EPHX2 (0.34) MEN1KMT2A
SCHEMBL25045160 0.78 CYP2D6 (0.33) TSHRCYP2D6SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed
WO-2023235880-A1 CD38 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2023-12-07 WO disclosed
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
WO-2023220046-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2023-11-16 WO disclosed
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2023-10-26 US disclosed
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2023-10-26 US disclosed
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20120129807-A1 METHODS OF TREATMENT, IMPROVEMENT AND PREVENTION USING HALOARYL SUBSTITUTED AMINOPURINES SIGNAL PHARMACEUTICALS, LLC 2012-05-24 US disclosed
US-8101588-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-01-24 US disclosed
US-20100249066-A1 METHODS OF MODULATING INFLAMMATORY CELL RECRUITMENT AND GENE EXPRESSION USING HALOARYL SUBSTITUTED AMINOPURINES SIGNAL PHARMACEUTICALS, LLC 2010-09-30 US disclosed
US-7759342-B2 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC (US) 2010-07-20 US disclosed
US-7723340-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2010-05-25 US disclosed
US-20090312320-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HALOARYL SUBSTITUTED AMINOPURINES OR COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090275564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH ALBERS RONALD J 2009-11-05 US disclosed
US-7521446-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2009-04-21 US disclosed
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC 2008-01-24 US disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 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-20120129807-A1 METHODS OF TREATMENT, IMPROVEMENT AND PREVENTION USING HALOARYL SUBSTITUTED AMINOPURINES TPMT, MGMT, UNG TSHR 4162/4885CYP2D6 1765/4885HCRTR2 3698/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 TSHR 1610/4885CYP2D6 4415/4885HCRTR2 1064/4885
US-20100249066-A1 METHODS OF MODULATING INFLAMMATORY CELL RECRUITMENT AND GENE EXPRESSION USING HALOARYL SUBSTITUTED AMINOPURINES CCR2, CXCR2, CXCR3 TSHR 3214/4885CYP2D6 4196/4885HCRTR2 3046/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 TSHR 1610/4885CYP2D6 4415/4885HCRTR2 1064/4885
US-20090275564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 TSHR 2299/4885CYP2D6 3502/4885HCRTR2 3429/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI TSHR 4131/4885CYP2D6 12/4885HCRTR2 2772/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 TSHR 2004/4885CYP2D6 3682/4885HCRTR2 3194/4885
US-20090312320-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HALOARYL SUBSTITUTED AMINOPURINES OR COMPOSITIONS THEREOF TPMT, MGMT, SMAD3 TSHR 1922/4885CYP2D6 3754/4885HCRTR2 3040/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 TSHR 2299/4885CYP2D6 3502/4885HCRTR2 3429/4885

“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.