SCHEMBL4156531

SCHEMBL4156531

COCC[CH]OC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 5/20 0.33
ALDH1A1 P00352 1/20 0.33
BTN3A1 O00481 2/20 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
SCHEMBL10013020 0.80 ALOX15 (0.40) PRKCAALDH1A1BTN3A1
SCHEMBL449290 0.78 ALDH1A1 (0.31) PRKCAALDH1A1
SCHEMBL4156482 0.78 PRKCA (0.31) PRKCA
SCHEMBL10431807 0.76
SCHEMBL451530 0.75 TSHR (0.36) PRKCAALDH1A1
SCHEMBL27501595 0.73 PRKCA (0.32) PRKCA
SCHEMBL450817 0.73 CYP1A2 (0.39)
SCHEMBL450210 0.73 ELANE (0.32) PRKCA
SCHEMBL6921711 0.73 PRKCA (0.36) PRKCABTN3A1
SCHEMBL10990412 0.72 EP300 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149648-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
US-7439350-B2 Nucleotide analogs GILEAD SCIENCES, INC. (US) 2008-10-21 US disclosed
US-20040242465-A1 Nucleotide analogs BISCHOFBERGER NORBERT W (US) 2004-12-02 US disclosed
US-20010041794-A1 Nucleotide analogs GILEAD SCIENCES, INC. 2001-11-15 US disclosed
US-6225460-B1 PHOSPHOAMIDATE OR ESTER BOND THAT IS HYDROLYZED IN VIVO TO YIELD A CORRESPONDING PHOSPHONATE NUCLEOTIDE ANALOG. GILEAD SCIENCES, INC. 2001-05-01 US disclosed
US-5886179-A NUCLEOTIDE PHOSPHONATE ESTERS HYDROLYZABLE IN VIVO TO THE CORRESPONDING NUCLEOTIDE PHOSPHONATE AS VIRICIDES GILEAD SCIENCES, INC. (US) 1999-03-23 US disclosed
EP-0874858-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1998-11-04 EP disclosed
US-5798340-A ANTITUMOR/ANTINEOPLASTIC ACTIITY, VIRICIDES; BROAD SPECTRUM MICROBIOCIDES; THIOPHOSPHONATES HYDROLYZABLE IN VIVO; ORAL ADMINISTRATION; BIOAVAILABILITY; NONTOXIC; POTENCY GILEAD SCIENCES, INC. (US) 1998-08-25 US disclosed
US-5656745-A AMIDATE LINKAGE; ANTITUMOR, ANTICARCINOGENIC AGENTS GILEAD SCIENCES, INC. (US) 1997-08-12 US disclosed
WO-1997024361-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1997-07-10 WO disclosed
EP-0719274-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
EP-0719273-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 WO disclosed
WO-1995007919-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1995-03-23 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 (3 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-20040242465-A1 Nucleotide analogs PNP, NUDT1, TYMP PRKCA 1085/4885ALDH1A1 4101/4885BTN3A1 3288/4885
US-20010041794-A1 Nucleotide analogs PNP, NUDT1, TYMP PRKCA 1085/4885ALDH1A1 4101/4885BTN3A1 3288/4885
US-20090149648-A1 NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP PRKCA 1085/4885ALDH1A1 4101/4885BTN3A1 3288/4885

“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.