Sugi Predict

Sugi Predict / Compounds / SCHEMBL17359595

SCHEMBL17359595

SCHEMBL17359595

CCCCO[C@H](C(O)COC(=O)c1ccccc1)[C@@H](F)COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ ADRB2 P07550 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ ADRB3 P13945 2/20 0.39
▸ STS P08842 7/20 0.38
▸ PLA2G2A P14555 2/20 0.37
▸ PLA2G10 O15496 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ PLA2G5 P39877 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PLA2G4B P0C869 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL17359589 0.90 PLA2G2A (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G4B
SCHEMBL17359776 0.86 PLA2G2A (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G4B
SCHEMBL17359777 0.80 PRKCA (0.53) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL20742091 0.80 ADRB2 (0.52) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL20742093 0.80 ADRB2 (0.52) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL17359590 0.77 PLA2G2A (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5KMT2A
SCHEMBL14682425 0.76 ALDH1A1 (0.57) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL7723488 0.75 TDP1 (0.47) ALDH1A1ADRB2ADRB1ADRB3KMT2A
SCHEMBL14683437 0.75 ALDH1A1 (0.56) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL17359608 0.72 PLA2G2A (0.37) ALDH1A1PLA2G2APLA2G10PLA2G1BPLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015200205-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2015-12-30 — — WO disclosed
WO-2015200219-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2015-12-30 — — WO disclosed
US-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US disclosed
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — 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 (2 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-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP ALDH1A1 2325/4885PRKCA 1635/4885ADRB2 4226/4885
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ALDH1A1 2125/4885PRKCA 2314/4885ADRB2 3544/4885

“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.