SCHEMBL9961561

SCHEMBL9961561

CC(C)(C)COP(C)(C)=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 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
SCHEMBL10509715 0.82 CYP2C19 (0.38) CYP2C19TP53TDP1TSHR
SCHEMBL599835 0.79 TSHR (0.45) CYP2C19TP53TDP1TSHR
SCHEMBL22340062 0.78 CYP2C19 (0.35) CYP2C19TP53TDP1
SCHEMBL6840461 0.78 SAT1 (0.35) CYP2C19TP53TDP1
SCHEMBL16576624 0.78 CYP2C19 (0.35) CYP2C19TP53TDP1
SCHEMBL16906615 0.78 CYP2C19 (0.35) CYP2C19TP53TDP1
SCHEMBL3913953 0.78 CYP2C19 (0.35) CYP2C19TP53TDP1
SCHEMBL9255575 0.77 CYP2C19 (0.38) CYP2C19TP53TDP1TSHR
SCHEMBL2782186 0.77 TP53 (0.39) CYP2C19TP53TDP1TSHR
SCHEMBL9909518 0.77 TP53 (0.52) CYP2C19TP53TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS FIREFLY BIO, INC. 2024-02-29 US disclosed
US-11771680-B2 Pyrrole compounds ALIGOS THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
US-9732111-B2 2′-alkynyl substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-9457039-B2 2′-disubstituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-10-04 US disclosed
US-20160045526-A1 2'-DISUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-9242988-B2 2′-cyano substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150299243-A1 2'-ALKYNYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
US-20150274739-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
US-20140128339-A1 2'-METHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. 2014-05-08 US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20100174007-A1 Haloneopentyl Bis(ALKYL) Phosphate Ester, Flame Retardant Composition Containing Same and Polyurethane Foam Prepared Therewith ICL-IP AMERICA INC. 2010-07-08 US disclosed
US-7417156-B2 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers JOHNS HOPKINS UNIVERSITY (US) 2008-08-26 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-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CYP2C19 80/4885TP53 3036/4885TDP1 2424/4885
US-20150274739-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES NSUN2, RNGTT, NT5C3B CYP2C19 874/4885TP53 1080/4885TDP1 1735/4885
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CYP2C19 80/4885TP53 3036/4885TDP1 2424/4885
US-20140128339-A1 2'-METHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES NSUN2, NT5C3B, MTAP CYP2C19 517/4885TP53 3129/4885TDP1 1155/4885
US-20160045526-A1 2'-DISUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SLC28A2, SLC28A1, SLC29A2 CYP2C19 729/4885TP53 1804/4885TDP1 863/4885
US-11771680-B2 Pyrrole compounds PKD1, ADCYAP1R1, PYCR1 CYP2C19 45/4885TP53 1642/4885TDP1 1497/4885
US-20150299243-A1 2'-ALKYNYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES PNP, SLC29A2, HAVCR2 CYP2C19 615/4885TP53 3814/4885TDP1 763/4885
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS TPX2, H1-4, MAPT CYP2C19 2675/4885TP53 776/4885TDP1 274/4885
US-20100174007-A1 Haloneopentyl Bis(ALKYL) Phosphate Ester, Flame Retardant Composition Containing Same and Polyurethane Foam Prepared Therewith PFAS, FFAR1, AUP1 CYP2C19 1818/4885TP53 2039/4885TDP1 282/4885

“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.