SCHEMBL3601048

SCHEMBL3601048

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)CCl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
UCHL1 P09936 1/20 0.46
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
KLK7 P49862 1/20 0.43

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
SCHEMBL204974 1.00 HSD17B10 (0.56) HSD17B10SMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL2707102 1.00 HSD17B10 (0.56) HSD17B10SMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL30987668 0.95 HSD17B10 (0.51) HSD17B10SMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL10031609 0.86 HSD17B10 (0.57) HSD17B10SMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL13871981 0.86 HSD17B10 (0.57) HSD17B10SMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL903389 0.86 HSD17B10 (0.57) HSD17B10SMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL8389716 0.85 HSD17B10 (0.56) HSD17B10SMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL6948605 0.85 HSD17B10 (0.56) HSD17B10SMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL6941435 0.85 HSD17B10 (0.56) HSD17B10SMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL2259135 0.85 HSD17B10 (0.56) HSD17B10SMN1; SMN2ALDH1A1NPC1LMNA

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-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
WO-2004041795-A1 NOVEL INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-05-21 WO disclosed
US-4643991-A TREATMENT OF EMPHYSEMA THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1987-02-17 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 HSD17B10 3024/4885SMN1; SMN2 2617/4885ALDH1A1 1430/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HSD17B10 3314/4885SMN1; SMN2 1564/4885ALDH1A1 3957/4885

“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.