Sugi Predict

Sugi Predict / Compounds / SCHEMBL4535864

SCHEMBL4535864

SCHEMBL4535864

C[C@@H](COCC(=O)OC(C)(C)C)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ TK1 P04183 2/20 0.36
▸ DUT P33316 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PPARA Q07869 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PTPRC P08575 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL12409617 1.00 CYP2C19 (0.37) CYP2C19HIF1APTPN1TK1DUT
SCHEMBL2180294 0.84 TK1 (0.39) CYP2C19HIF1ATK1DUTCYP1A2
SCHEMBL20341361 0.84 CYP2C19 (0.37) CYP2C19HIF1APTPN1TK1DUT
SCHEMBL4535689 0.84 SMN1; SMN2 (0.41) TK1KMT2ALMNAPOLBKDM4E
SCHEMBL4527231 0.80 KIF11 (0.36) CYP2C19HIF1ATK1DUTCYP1A2
SCHEMBL13108098 0.79 ATM (0.47) PTPN1PPARACTSKMAPT
SCHEMBL11296399 0.77 NPSR1 (0.36) CYP2C19HIF1APTPN1TK1DUT
SCHEMBL18011761 0.77 NPSR1 (0.36) CYP2C19HIF1APTPN1TK1DUT
SCHEMBL28571612 0.76 TK2 (0.40) CYP2C19HIF1ATK1DUTKIF11
SCHEMBL5370796 0.75 TK1 (0.41) CYP2C19HIF1ATK1DUTCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 — — US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 — — US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 — — US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 — — US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 — — US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 — — US disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 — — 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 (1 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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT CYP2C19 117/4885HIF1A 3238/4885PTPN1 2302/4885

“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.