Sugi Predict

Sugi Predict / Compounds / SCHEMBL178476

SCHEMBL178476

SCHEMBL178476

CNC[C@H]1CC[C@H](O)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SAT1 P21673 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ SHBG P04278 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 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
SCHEMBL15739762 1.00 SAT1 (0.37) SAT1TDP1SHBGL3MBTL1EPHX2
SCHEMBL765703 1.00 SAT1 (0.37) SAT1TDP1SHBGL3MBTL1EPHX2
SCHEMBL6019205 0.86 SAT1 (0.39) SAT1TDP1L3MBTL1SIGMAR1JAK2
SCHEMBL273581 0.86 — —
SCHEMBL13165399 0.86 SAT1 (0.39) SAT1TDP1L3MBTL1SIGMAR1JAK2
SCHEMBL17780163 0.85 — —
SCHEMBL17780155 0.85 — —
SCHEMBL14021539 0.85 — —
Hydrochloric Acid SCHEMBL1165197 0.83 — —
Hydrochloric Acid SCHEMBL23212665 0.80 — —

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-9790221-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-10-17 — — US disclosed
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2017-08-03 — — US disclosed
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2017-08-03 — — US disclosed
US-9573954-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2017-02-21 — — US disclosed
US-9573954-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2017-02-21 — — US disclosed
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 — — US disclosed
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 — — US disclosed
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 — — US disclosed
WO-2014075168-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2014-05-22 — — WO disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 — — 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 (4 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 SAT1 3031/4885TDP1 3967/4885SHBG 1931/4885
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD SAT1 1845/4885TDP1 780/4885SHBG 3507/4885
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 SAT1 2837/4885TDP1 304/4885SHBG 4668/4885
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD SAT1 3322/4885TDP1 1380/4885SHBG 3314/4885

“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.