SCHEMBL3760487

SCHEMBL3760487

[C]#CN1CCCC1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP3 P42574 1/20 0.38
CTSK P43235 3/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ROCK2 O75116 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3759121 0.95 CASP3 (0.37) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL6039781 0.85 HSD17B10 (0.40) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL28356288 0.79 CTSK (0.51) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL2677782 0.76 HSD17B10 (0.42) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL12084380 0.76 HSD17B10 (0.42) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL8490471 0.76 HSD17B10 (0.42) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL14938657 0.76 CASP3 (0.43) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL7362291 0.76 HSD17B10 (0.42) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL31016714 0.76 HSD17B10 (0.42) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL23999544 0.75 HSD17B10 (0.41) HSD17B10MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA HSD17B10 2922/4885MEN1 2762/4885ALDH1A1 3061/4885

“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.