SCHEMBL1994252

SCHEMBL1994252

O=C(O)C1CCN(c2nccs2)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.67
HPGD P15428 2/20 0.64
HTT P42858 2/20 0.59
KDM4E B2RXH2 2/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 1/20 0.56
KDM4C Q9H3R0 1/20 0.55
NEK2 P51955 4/20 0.51
GRM5 P41594 1/20 0.50
GRM1 Q13255 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
SLC6A7 Q99884 1/20 0.49
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SCD O00767 1/20 0.44
PLK1 P53350 1/20 0.44
NEK1 Q96PY6 1/20 0.44
LMNA P02545 1/20 0.43
TMPRSS15 P98073 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
SCHEMBL1668959 0.98 HSD17B10 (0.65) HSD17B10HPGDHTTKDM4ECYP2C19
SCHEMBL16695496 0.91 HSD17B10 (0.60) HSD17B10HPGDHTTKDM4ECYP2C19
SCHEMBL11994540 0.86 HPGD (0.63) HSD17B10HPGDHTTKDM4ECYP2C19
SCHEMBL1989546 0.86 HPGD (0.63) HSD17B10HPGDHTTALDH1A1GRM5
Lithium Ion SCHEMBL1668957 0.84 HPGD (0.61) HSD17B10HPGDHTTKDM4ECYP2C19
SCHEMBL28007419 0.83 HSD17B10 (0.69) HSD17B10HPGDHTTALDH1A1SLC6A7
SCHEMBL7234810 0.82 KDM4C (0.53) HSD17B10HPGDHTTKDM4ECYP2C19
SCHEMBL1667435 0.82 HPGD (0.59) HSD17B10HPGDHTTALDH1A1KDM4C
SCHEMBL11996777 0.82 HPGD (0.59) HSD17B10HPGDHTTALDH1A1KDM4C
SCHEMBL1700325 0.82 HPGD (0.62) HSD17B10HPGDHTTKDM4EALDH1A1

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
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO claimed
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 US disclosed
EP-2512246-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
WO-2011075560-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 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-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 HSD17B10 1730/4885HPGD 1122/4885HTT 4830/4885

“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.