SCHEMBL777769

SCHEMBL777769

CC(C)(C)Cc1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
NOS1 P29475 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A3 Q01959 3/20 0.37
CYP2C19 P33261 1/20 0.37
FBP1 P09467 2/20 0.35
PDK1 Q15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ADORA2A P29274 1/20 0.34
HTR7 P34969 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL2093647 0.83 FDPS (0.42) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL2093644 0.83 FDPS (0.42) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL21025343 0.81 FDPS (0.37) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL13543933 0.81 FDPS (0.37) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL21552426 0.81 ADRB2 (0.37) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL6701445 0.79 ALDH1A1 (0.37) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL6770012 0.78 FDPS (0.38) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL19250934 0.78 ALDH1A1 (0.33) FDPSALDH1A1TSHRSLC6A3CYP2C19
SCHEMBL13548386 0.77 CYP2C19 (0.44) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL1725884 0.77 FDPS (0.40) FDPSALDH1A1TSHRNOS1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
US-20230337520-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-11771677-B2 Immunomodulating urea azalides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771677-B2 Immunomodulating urea azalides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-7189716-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-13 US disclosed
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO 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-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS FDPS 2572/4885ALDH1A1 2792/4885TSHR 4752/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 FDPS 1287/4885ALDH1A1 4663/4885TSHR 4177/4885
US-11760761-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 FDPS 4159/4885ALDH1A1 301/4885TSHR 2323/4885
US-20230337520-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, LPO, LPL FDPS 1623/4885ALDH1A1 781/4885TSHR 2071/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS FDPS 2572/4885ALDH1A1 2792/4885TSHR 4752/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 FDPS 613/4885ALDH1A1 106/4885TSHR 4773/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 FDPS 2360/4885ALDH1A1 2017/4885TSHR 4572/4885
US-11771677-B2 Immunomodulating urea azalides ARG1, IL2, CD209 FDPS 2100/4885ALDH1A1 371/4885TSHR 920/4885
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, ERBB2, ROS1 FDPS 1879/4885ALDH1A1 1433/4885TSHR 2225/4885

“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.