SCHEMBL9944590

SCHEMBL9944590

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
DHFR P00374 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CA2 P00918 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP12 P39900 1/20 0.33
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.31
PKM P14618 1/20 0.31
EPHX1 P07099 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
SCHEMBL27408827 0.80
SCHEMBL9122838 0.78 LMNA (0.32) TSHR
SCHEMBL1618240 0.76 CA2 (0.48) SMN1; SMN2DHFRTSHRTDP1KDM4E
SCHEMBL24178088 0.76 ALDH1A1 (0.36) CA2PKM
SCHEMBL16519693 0.75 DHFR (0.31) SMN1; SMN2DHFRTSHRTDP1
SCHEMBL21125610 0.74 CA12 (0.36) KDM4ECA2
SCHEMBL19630966 0.74 KMT2A (0.31)
SCHEMBL1598836 0.74
SCHEMBL17286563 0.72 ALDH1A1 (0.40) SMN1; SMN2CA2
SCHEMBL1598837 0.72 CA1 (0.30) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
CN-117623992-A Lewis acid-promoted N-acyl sulfonamide direct transfer acylation method 荆楚理工学院 2024-03-01 CN disclosed
CN-117603101-A Lewis acid-promoted non-hydrolytic deacylation method for N-acyl secondary sulfonamide 荆楚理工学院 2024-02-27 CN disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-09-07 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
US-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 US disclosed
WO-2014047427-A2 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2014-03-27 WO disclosed
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2012-06-14 US disclosed
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2012-06-14 US disclosed
US-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2011-11-10 US disclosed
US-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2011-11-10 US disclosed
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 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 (10 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-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 SMN1; SMN2 3869/4885DHFR 1706/4885TSHR 2766/4885
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 SMN1; SMN2 4483/4885DHFR 4738/4885TSHR 98/4885
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 SMN1; SMN2 2273/4885DHFR 2976/4885TSHR 4640/4885
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 SMN1; SMN2 4483/4885DHFR 4738/4885TSHR 98/4885
US-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives DAO, DDO, SELENOI SMN1; SMN2 843/4885DHFR 671/4885TSHR 1319/4885
US-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, SLC10A2 SMN1; SMN2 4664/4885DHFR 1016/4885TSHR 805/4885
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 SMN1; SMN2 4378/4885DHFR 153/4885TSHR 4711/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 SMN1; SMN2 4686/4885DHFR 1482/4885TSHR 429/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 SMN1; SMN2 4483/4885DHFR 4738/4885TSHR 98/4885
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives DAO, DDO, SELENOI SMN1; SMN2 843/4885DHFR 671/4885TSHR 1319/4885

“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.