SCHEMBL1155828

SCHEMBL1155828

CCOC(=O)C1CCc2sc(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
GAA P10253 4/20 0.53
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RECQL P46063 1/20 0.53
HPGD P15428 4/20 0.42
PDK1 Q15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
LIMK1 P53667 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
ADRB3 P13945 3/20 0.37
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL908134 0.92 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL19674285 0.92 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10KDM4EMEN1
Bromide SCHEMBL4802784 0.91 ALDH1A1 (0.44) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL1155419 0.86 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL1155477 0.84 ALDH1A1 (0.48) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL13196218 0.83 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL1155871 0.83 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL11964103 0.79 ADRB3 (0.38) GAAHSD17B10SMN1; SMN2MAPTALOX15
SCHEMBL909067 0.78 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL13647418 0.77 TRPM8 (0.48) ALDH1A1GAAHSD17B10KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-10-10 US disclosed
EP-4281458-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS Anrui Biomedical Technology (Guangzhou) Co., Ltd. (CN) 2023-11-29 EP disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
WO-2022156657-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-07-28 WO disclosed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
EP-3415519-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2018-12-19 EP disclosed
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-08-30 US disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
WO-2009124167-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
EP-2097373-A1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) F. Hoffmann-Roche AG (CH) 2009-09-09 EP disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-20080153805-A1 SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-26 US disclosed
WO-2008074692-A1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 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 (6 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-10647731-B2 Thiazolopyrimidinones and methods of use thereof TPMT, THPO, CYP11B2 ALDH1A1 159/4885GAA 488/4885HSD17B10 328/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ALDH1A1 369/4885GAA 2920/4885HSD17B10 1070/4885
US-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS TYK2, PTK2B, JAK1 ALDH1A1 4073/4885GAA 2835/4885HSD17B10 4388/4885
US-20080153805-A1 SULFONAMIDE DERIVATIVES CPT1A, SULT2A1, SULT1A1 ALDH1A1 119/4885GAA 669/4885HSD17B10 231/4885
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 ALDH1A1 159/4885GAA 488/4885HSD17B10 328/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD ALDH1A1 1280/4885GAA 4119/4885HSD17B10 771/4885

“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.