Sugi Predict

Sugi Predict / Compounds / SCHEMBL1751885

SCHEMBL1751885

SCHEMBL1751885

C=C[C@H](C)[C@H](OCc1ccc(OC)cc1)[C@@H](C)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.35
▸ AGXT P21549 2/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TBXAS1 P24557 1/20 0.33
▸ APLNR P35414 1/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CASR P41180 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ SLC6A4 P31645 1/20 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
SCHEMBL1751884 1.00 IDO1 (0.35) IDO1AGXTCYP3A4ALDH1A1TP53
SCHEMBL5819046 0.89 IDO1 (0.33) IDO1AGXTCYP3A4ALDH1A1TP53
SCHEMBL5819052 0.89 IDO1 (0.33) IDO1AGXTCYP3A4ALDH1A1TP53
SCHEMBL5819050 0.89 IDO1 (0.33) IDO1AGXTCYP3A4ALDH1A1TP53
SCHEMBL5820033 0.89 IDO1 (0.35) IDO1AGXTCYP3A4TBXAS1APLNR
SCHEMBL1751842 0.89 IDO1 (0.35) IDO1AGXTCYP3A4TBXAS1APLNR
SCHEMBL5820359 0.84 IDO1 (0.37) IDO1AGXTCYP3A4TSHRPOLB
SCHEMBL7198525 0.82 CA1 (0.40) IDO1AGXTCYP3A4ALDH1A1TP53
SCHEMBL7198518 0.82 CA1 (0.40) IDO1AGXTCYP3A4ALDH1A1TP53
SCHEMBL13378244 0.81 IDO1 (0.35) IDO1AGXTCYP3A4ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968736-B2 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof University of Pittsburgh—of the Commonwelth Systems of Higher Education (US) 2011-06-28 — — US disclosed
US-20090036691-A1 ANALOGS OF DICODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF PITTSBURGH UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER 2009-02-05 — — US disclosed
US-20060270862-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof PITTSBURGH, UNIVERSITY OF 2006-11-30 — — US disclosed
US-7122686-B2 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2006-10-17 — — US disclosed
US-20040186165-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-23 — — US disclosed
WO-2004022552-A1 ANALOGS OF DISCODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF UNIVERSITY OF PITTSBURGH (US) 2004-03-18 — — 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-20090036691-A1 ANALOGS OF DICODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF RRS1, RPS3A, RPS3 IDO1 4161/4885AGXT 3767/4885CYP3A4 1609/4885
US-20060270862-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof RRS1, RPS6KA3, RPS6KA4 IDO1 3790/4885AGXT 3833/4885CYP3A4 2413/4885
US-20040186165-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof DECR1, RRS1, WEE1 IDO1 3722/4885AGXT 3106/4885CYP3A4 2556/4885

“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.