Sugi Predict

Sugi Predict / Compounds / SCHEMBL313305

SCHEMBL313305

SCHEMBL313305

NCCCC[C@H](N)C(=O)Oc1ncco1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.40
▸ LTA4H P09960 1/20 0.37
▸ DPP7 Q9UHL4 3/20 0.35
▸ DPP9 Q86TI2 2/20 0.35
▸ DPP8 Q6V1X1 2/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ CPB2 Q96IY4 3/20 0.33
▸ CPB1 P15086 2/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ GNAI3 P08754 1/20 0.31
▸ GNAO1 P09471 1/20 0.31
▸ GNAI1 P63096 1/20 0.31
▸ ARF6 P62330 1/20 0.31
▸ CTSK P43235 2/20 0.31
▸ CTSL P07711 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
SCHEMBL313375 0.81 CIT (0.30) —
SCHEMBL15670956 0.73 DPP7 (0.42) GSRLTA4HDPP7DPP9DPP8
SCHEMBL11644642 0.72 GSR (0.40) GSRLTA4HDPP7DPP9DPP8
SCHEMBL11385959 0.72 CHRNB2 (0.31) —
SCHEMBL28305389 0.71 GSR (0.61) GSRLTA4HDPP7DPP9DPP8
SCHEMBL20475718 0.70 GSR (0.47) GSRLTA4HDPP7DPP9DPP8
SCHEMBL313587 0.69 GSR (0.40) GSRLTA4HDPP7DPP9DPP8
SCHEMBL7775125 0.69 GSR (0.50) GSRLTA4HDPP7DPP9DPP8
SCHEMBL7775127 0.69 GSR (0.50) GSRLTA4HDPP7DPP9DPP8
SCHEMBL15670507 0.69 MMP1 (0.38) GSRLTA4HDPP7DPP9DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729060-B2 Macrocyclic polyoxazole compounds and use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-20 — — US disclosed
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 — — US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 — — US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 — — US disclosed
US-20110230531-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2011-09-22 — — US disclosed
EP-2183256-A1 THERAPEUTIC COMPOUNDS Rutgers, The State University of New Jersey (US) 2010-05-12 — — EP disclosed
EP-2079704-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-07-22 — — EP disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 — — US disclosed
WO-2009018549-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-02-05 — — WO disclosed
WO-2007127173-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-11-08 — — 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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL GSR 223/4885LTA4H 4683/4885DPP7 4168/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 GSR 201/4885LTA4H 4771/4885DPP7 4180/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL GSR 280/4885LTA4H 4347/4885DPP7 2898/4885

“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.