SCHEMBL7109779

SCHEMBL7109779

COc1[c]nccc1-c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.40
SMPD3 Q9NY59 1/20 0.40
PDPK1 O15530 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
SRC P12931 1/20 0.35
ZAP70 P43403 1/20 0.35
SYK P43405 1/20 0.35
CYP17A1 P05093 1/20 0.35
ADRB2 P07550 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 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
SCHEMBL7110942 0.76 PDPK1 (0.40) ECE1SMPD3PDPK1GABRA1GABRG2
SCHEMBL7453259 0.73 CLK4 (0.40) RAB9ACYP1A2
SCHEMBL7113750 0.72 SMPD3 (0.44) ECE1SMPD3PDPK1GABRA1GABRG2
SCHEMBL7451095 0.71 SMPD3 (0.40) ECE1SMPD3PDPK1SRCZAP70
SCHEMBL7106715 0.71 SMPD3 (0.40) ECE1SMPD3PDPK1GABRA1GABRG2
SCHEMBL7111032 0.70 SMPD3 (0.41) ECE1SMPD3PDPK1SRCZAP70
SCHEMBL7450197 0.69 KDM4E (0.42) RAB9ACYP1A2HSP90AA1
SCHEMBL7114096 0.68 ADRA1A (0.36) ECE1SMPD3PDPK1GABRA1GABRG2
SCHEMBL28361849 0.68 PDPK1 (0.40) SMPD3PDPK1SRCZAP70SYK
SCHEMBL5396495 0.68 ADRA1D (0.52) ECE1SMPD3PDPK1RAB9ATUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
US-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 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-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 ECE1 250/4885SMPD3 849/4885PDPK1 3966/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 ECE1 661/4885SMPD3 1542/4885PDPK1 3673/4885

“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.