SCHEMBL3756855

SCHEMBL3756855

O=C(NCCC(O)O)c1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAOB P27338 1/20 0.39
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3037047 0.86 SMN1; SMN2 (0.49) EPHX2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8010684 0.80 EPHX2 (0.47) EPHX2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1416276 0.79 POLB (0.51) SMN1; SMN2ALDH1A1MAPK1LMNAPOLB
SCHEMBL9781018 0.79 EPHX2 (0.49) EPHX2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3030613 0.78 MAOB (0.62) SMN1; SMN2ALDH1A1MAPK1LMNAPOLB
SCHEMBL2477903 0.78 KDM4E (0.56) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL3982160 0.76 ALDH1A1 (0.41) EPHX2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3038367 0.76 LMNA (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL4351637 0.76 POLB (0.54) NPC1RAB9AALDH1A1MAPK1POLB
SCHEMBL4523453 0.76 CA1 (0.57) EPHX2SMN1; SMN2NPC1RAB9AMAPK1

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 8 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
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 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 EPHX2 3371/4885SMN1; SMN2 1864/4885NPC1 3855/4885

“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.