SCHEMBL3891473

SCHEMBL3891473

CC1CN1C(=O)c1cccs1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.75
▸ TSHR P16473 2/20 0.75
▸ LMNA P02545 1/20 0.75
▸ ALOX15 P16050 1/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ GAA P10253 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ MAPT P10636 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ DAO P14920 1/20 0.47

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
SCHEMBL26827907 0.84 HSD17B10 (0.85) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL13753536 0.83 TSHR (0.68) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL26814669 0.81 LMNA (0.79) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL26818015 0.79 TSHR (0.54) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL11378388 0.78 HSD17B10 (0.54) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL10280067 0.78 TSHR (0.53) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL15070498 0.75 GAA (0.68) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL28846715 0.73 GAA (0.57) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL28159525 0.73 GAA (0.57) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL19002201 0.73 NPC1 (0.66) HSD17B10TSHRLMNAALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 — — US disclosed
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 — — US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 — — US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 — — US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 — — EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 — — US disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 — — EP disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 — — EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 — — 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 (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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 HSD17B10 4345/4885TSHR 3997/4885LMNA 3321/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 HSD17B10 3744/4885TSHR 1511/4885LMNA 3932/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 HSD17B10 3097/4885TSHR 4451/4885LMNA 4149/4885

“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.

Send feedback