SCHEMBL7109826

SCHEMBL7109826

COc1[nH][c]c2cccc(-c3nccs3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
TYK2 P29597 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 1/20 0.35
PDPK1 O15530 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
TUBB4A P04350 3/20 0.34
TUBB P07437 3/20 0.34
TUBA3C P0DPH7 3/20 0.34
TUBA1B P68363 3/20 0.34
TUBA4A P68366 3/20 0.34
TUBB4B P68371 3/20 0.34
TUBB3 Q13509 3/20 0.34
TUBB2A Q13885 3/20 0.34
TUBB8 Q3ZCM7 3/20 0.34
TUBA3E Q6PEY2 3/20 0.34

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
SCHEMBL7111062 0.79 CLK4 (0.38) CYP1A2TYK2ABL1
SCHEMBL7452515 0.77 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7107722 0.76 TUBB4A (0.36) SMPD3CYP1A1CYP1A2CYP1B1TYK2
SCHEMBL7454960 0.74 ADRA1A (0.34) ADRA1DADRA1AADRA1BTUBB4ATUBB
SCHEMBL7111088 0.74 ADRA1A (0.35) SMPD3CYP1A1CYP1A2CYP1B1ADRA1D
SCHEMBL7114096 0.69 ADRA1A (0.36) SMPD3CYP1A1CYP1A2CYP1B1ADRA1D
SCHEMBL20092688 0.69 MGAM (0.42) SMPD3CYP1A1CYP1A2CYP1B1TYK2
SCHEMBL26259717 0.68 HSD17B10 (0.54) ADRA1DADRA1AADRA1BPDPK1LOXL2
SCHEMBL7157468 0.68 SMPD3 (0.41) SMPD3CYP1A1CYP1A2CYP1B1ADRA1D
SCHEMBL29715238 0.67 ADRA1D (0.52) SMPD3CYP1A2ADRA1DADRA1AADRA1B

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 3 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
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 SMPD3 1542/4885CYP1A1 3130/4885CYP1A2 3206/4885

“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.